1'-[[2,5-dibromo-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[2,5-dichloro-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]phenyl]methyl]-3',3',6,8-tetramethylspiro[chromene-2,2'-indole];8-methoxy-1'-[[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]

C253H221Br2Cl2N19O35 — CID 158322830

IUPAC1'-[[2,5-dibromo-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[2,5-dichloro-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]phenyl]methyl]-3',3',6,8-tetramethylspiro[chromene-2,2'-indole];8-methoxy-1'-[[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]
SMILESCC1(C)c2ccccc2N(Cc2ccc(-c3ccc(CN4c5ccccc5C(C)(C)C45C=Cc4cc([N+](=O)[O-])ccc4O5)cc3)cc2)C12C=Cc1cc([N+](=O)[O-])ccc1O2.COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(Cc2cc(Br)c(CN3c4ccccc4C(C)(C)C34C=Cc3cc([N+](=O)[O-])cc(OC)c3O4)cc2Br)c2ccccc2C1(C)C.COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(Cc2cc(Cl)c(CN3c4ccccc4C(C)(C)C34C=Cc3cc([N+](=O)[O-])cc(OC)c3O4)cc2Cl)c2ccccc2C1(C)C.COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(Cc2ccc(-c3ccc(-c4ccc(CN5c6ccccc6C(C)(C)C56C=Cc5cc(C)cc(C)c5O6)cc4)cc3)cc2)c2ccccc2C1(C)C.COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(Cc2ccc(-c3ccc(CN4c5ccccc5C(C)(C)C45C=Cc4cc([N+](=O)[O-])cc(OC)c4O5)cc3)cc2)c2ccccc2C1(C)C
InChIInChI=1S/C59H53N3O5.C52H46N4O8.C50H42N4O6.C46H40Br2N4O8.C46H40Cl2N4O8/c1-38-32-39(2)54-46(33-38)28-30-58(66-54)56(3,4)49-12-8-10-14-51(49)60(58)36-40-16-20-42(21-17-40)44-24-26-45(27-25-44)43-22-18-41(19-23-43)37-61-52-15-11-9-13-50(52)57(5,6)59(61)31-29-47-34-48(62(63)64)35-53(65-7)55(47)67-59;1-49(2)41-11-7-9-13-43(41)53(51(49)25-23-37-27-39(55(57)58)29-45(61-5)47(37)63-51)31-33-15-19-35(20-16-33)36-21-17-34(18-22-36)32-54-44-14-10-8-12-42(44)50(3,4)52(54)26-24-38-28-40(56(59)60)30-46(62-6)48(38)64-52;1-47(2)41-9-5-7-11-43(41)51(49(47)27-25-37-29-39(53(55)56)21-23-45(37)59-49)31-33-13-17-35(18-14-33)36-19-15-34(16-20-36)32-52-44-12-8-6-10-42(44)48(3,4)50(52)28-26-38-30-40(54(57)58)22-24-46(38)60-50;2*1-43(2)33-11-7-9-13-37(33)49(45(43)17-15-27-19-31(51(53)54)23-39(57-5)41(27)59-45)25-29-21-36(48)30(22-35(29)47)26-50-38-14-10-8-12-34(38)44(3,4)46(50)18-16-28-20-32(52(55)56)24-40(58-6)42(28)60-46/h8-35H,36-37H2,1-7H3;7-30H,31-32H2,1-6H3;5-30H,31-32H2,1-4H3;2*7-24H,25-26H2,1-6H3
InChIKeyGPBFHIDYXJNDCF-UHFFFAOYSA-N
MW4318.36 g/mol
LogP58.78
Rot. Bonds40

About 1'-[[2,5-dibromo-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[2,5-dichloro-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]phenyl]methyl]-3',3',6,8-tetramethylspiro[chromene-2,2'-indole];8-methoxy-1'-[[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]

1'-[[2,5-dibromo-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[2,5-dichloro-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]phenyl]methyl]-3',3',6,8-tetramethylspiro[chromene-2,2'-indole];8-methoxy-1'-[[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole] (PubChem CID 158322830) has the molecular formula C253H221Br2Cl2N19O35 and a molecular weight of 4318.36 g/mol. Its IUPAC name is 1'-[[2,5-dibromo-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[2,5-dichloro-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]phenyl]methyl]-3',3',6,8-tetramethylspiro[chromene-2,2'-indole];8-methoxy-1'-[[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole].

Molecular Properties

Compound Name1'-[[2,5-dibromo-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[2,5-dichloro-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]phenyl]methyl]-3',3',6,8-tetramethylspiro[chromene-2,2'-indole];8-methoxy-1'-[[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]
PubChem CID158322830
Molecular FormulaC253H221Br2Cl2N19O35
Molecular Weight4318.36 g/mol
Exact Mass4312.38
IUPAC Name1'-[[2,5-dibromo-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[2,5-dichloro-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]phenyl]methyl]-3',3',6,8-tetramethylspiro[chromene-2,2'-indole];8-methoxy-1'-[[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]
SMILESCC1(C)c2ccccc2N(Cc2ccc(-c3ccc(CN4c5ccccc5C(C)(C)C45C=Cc4cc([N+](=O)[O-])ccc4O5)cc3)cc2)C12C=Cc1cc([N+](=O)[O-])ccc1O2.COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(Cc2cc(Br)c(CN3c4ccccc4C(C)(C)C34C=Cc3cc([N+](=O)[O-])cc(OC)c3O4)cc2Br)c2ccccc2C1(C)C.COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(Cc2cc(Cl)c(CN3c4ccccc4C(C)(C)C34C=Cc3cc([N+](=O)[O-])cc(OC)c3O4)cc2Cl)c2ccccc2C1(C)C.COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(Cc2ccc(-c3ccc(-c4ccc(CN5c6ccccc6C(C)(C)C56C=Cc5cc(C)cc(C)c5O6)cc4)cc3)cc2)c2ccccc2C1(C)C.COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(Cc2ccc(-c3ccc(CN4c5ccccc5C(C)(C)C45C=Cc4cc([N+](=O)[O-])cc(OC)c4O5)cc3)cc2)c2ccccc2C1(C)C
InChIInChI=1S/C59H53N3O5.C52H46N4O8.C50H42N4O6.C46H40Br2N4O8.C46H40Cl2N4O8/c1-38-32-39(2)54-46(33-38)28-30-58(66-54)56(3,4)49-12-8-10-14-51(49)60(58)36-40-16-20-42(21-17-40)44-24-26-45(27-25-44)43-22-18-41(19-23-43)37-61-52-15-11-9-13-50(52)57(5,6)59(61)31-29-47-34-48(62(63)64)35-53(65-7)55(47)67-59;1-49(2)41-11-7-9-13-43(41)53(51(49)25-23-37-27-39(55(57)58)29-45(61-5)47(37)63-51)31-33-15-19-35(20-16-33)36-21-17-34(18-22-36)32-54-44-14-10-8-12-42(44)50(3,4)52(54)26-24-38-28-40(56(59)60)30-46(62-6)48(38)64-52;1-47(2)41-9-5-7-11-43(41)51(49(47)27-25-37-29-39(53(55)56)21-23-45(37)59-49)31-33-13-17-35(18-14-33)36-19-15-34(16-20-36)32-52-44-12-8-6-10-42(44)48(3,4)50(52)28-26-38-30-40(54(57)58)22-24-46(38)60-50;2*1-43(2)33-11-7-9-13-37(33)49(45(43)17-15-27-19-31(51(53)54)23-39(57-5)41(27)59-45)25-29-21-36(48)30(22-35(29)47)26-50-38-14-10-8-12-34(38)44(3,4)46(50)18-16-28-20-32(52(55)56)24-40(58-6)42(28)60-46/h8-35H,36-37H2,1-7H3;7-30H,31-32H2,1-6H3;5-30H,31-32H2,1-4H3;2*7-24H,25-26H2,1-6H3
InChIKeyGPBFHIDYXJNDCF-UHFFFAOYSA-N
XLogP58.78
TPSA577.57 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds40
Heavy Atoms311
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004318.36
LogP ≤ 558.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Analyze 1'-[[2,5-dibromo-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[2,5-dichloro-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]phenyl]methyl]-3',3',6,8-tetramethylspiro[chromene-2,2'-indole];8-methoxy-1'-[[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-[[2,5-dibromo-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[2,5-dichloro-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]phenyl]methyl]-3',3',6,8-tetramethylspiro[chromene-2,2'-indole];8-methoxy-1'-[[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]?
The IUPAC name of 1'-[[2,5-dibromo-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[2,5-dichloro-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]phenyl]methyl]-3',3',6,8-tetramethylspiro[chromene-2,2'-indole];8-methoxy-1'-[[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole] (CID 158322830) is 1'-[[2,5-dibromo-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[2,5-dichloro-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]phenyl]methyl]-3',3',6,8-tetramethylspiro[chromene-2,2'-indole];8-methoxy-1'-[[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole].
What is the SMILES notation for 1'-[[2,5-dibromo-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[2,5-dichloro-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]phenyl]methyl]-3',3',6,8-tetramethylspiro[chromene-2,2'-indole];8-methoxy-1'-[[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]?
The canonical SMILES for 1'-[[2,5-dibromo-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[2,5-dichloro-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]phenyl]methyl]-3',3',6,8-tetramethylspiro[chromene-2,2'-indole];8-methoxy-1'-[[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole] is CC1(C)c2ccccc2N(Cc2ccc(-c3ccc(CN4c5ccccc5C(C)(C)C45C=Cc4cc([N+](=O)[O-])ccc4O5)cc3)cc2)C12C=Cc1cc([N+](=O)[O-])ccc1O2.COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(Cc2cc(Br)c(CN3c4ccccc4C(C)(C)C34C=Cc3cc([N+](=O)[O-])cc(OC)c3O4)cc2Br)c2ccccc2C1(C)C.COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(Cc2cc(Cl)c(CN3c4ccccc4C(C)(C)C34C=Cc3cc([N+](=O)[O-])cc(OC)c3O4)cc2Cl)c2ccccc2C1(C)C.COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(Cc2ccc(-c3ccc(-c4ccc(CN5c6ccccc6C(C)(C)C56C=Cc5cc(C)cc(C)c5O6)cc4)cc3)cc2)c2ccccc2C1(C)C.COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(Cc2ccc(-c3ccc(CN4c5ccccc5C(C)(C)C45C=Cc4cc([N+](=O)[O-])cc(OC)c4O5)cc3)cc2)c2ccccc2C1(C)C.
What is the InChIKey of 1'-[[2,5-dibromo-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[2,5-dichloro-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]phenyl]methyl]-3',3',6,8-tetramethylspiro[chromene-2,2'-indole];8-methoxy-1'-[[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]?
The InChIKey is GPBFHIDYXJNDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H53N3O5.C52H46N4O8.C50H42N4O6.C46H40Br2N4O8.C46H40Cl2N4O8/c1-38-32-39(2)54-46(33-38)28-30-58(66-54)56(3,4)49-12-8-10-14-51(49)60(58)36-40-16-20-42(21-17-40)44-24-26-45(27-25-44)43-22-18-41(19-23-43)37-61-52-15-11-9-13-50(52)57(5,6)59(61)31-29-47-34-48(62(63)64)35-53(65-7)55(47)67-59;1-49(2)41-11-7-9-13-43(41)53(51(49)25-23-37-27-39(55(57)58)29-45(61-5)47(37)63-51)31-33-15-19-35(20-16-33)36-21-17-34(18-22-36)32-54-44-14-10-8-12-42(44)50(3,4)52(54)26-24-38-28-40(56(59)60)30-46(62-6)48(38)64-52;1-47(2)41-9-5-7-11-43(41)51(49(47)27-25-37-29-39(53(55)56)21-23-45(37)59-49)31-33-13-17-35(18-14-33)36-19-15-34(16-20-36)32-52-44-12-8-6-10-42(44)48(3,4)50(52)28-26-38-30-40(54(57)58)22-24-46(38)60-50;2*1-43(2)33-11-7-9-13-37(33)49(45(43)17-15-27-19-31(51(53)54)23-39(57-5)41(27)59-45)25-29-21-36(48)30(22-35(29)47)26-50-38-14-10-8-12-34(38)44(3,4)46(50)18-16-28-20-32(52(55)56)24-40(58-6)42(28)60-46/h8-35H,36-37H2,1-7H3;7-30H,31-32H2,1-6H3;5-30H,31-32H2,1-4H3;2*7-24H,25-26H2,1-6H3.
What are the key properties of 1'-[[2,5-dibromo-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[2,5-dichloro-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]phenyl]methyl]-3',3',6,8-tetramethylspiro[chromene-2,2'-indole];8-methoxy-1'-[[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]?
1'-[[2,5-dibromo-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[2,5-dichloro-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]phenyl]methyl]-3',3',6,8-tetramethylspiro[chromene-2,2'-indole];8-methoxy-1'-[[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole] has a molecular weight of 4318.36 g/mol, XLogP of 58.78, 40 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[2,5-dibromo-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[2,5-dichloro-4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole];1'-[[4-[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]phenyl]methyl]-3',3',6,8-tetramethylspiro[chromene-2,2'-indole];8-methoxy-1'-[[4-[4-[(8-methoxy-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)methyl]phenyl]phenyl]methyl]-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole] is sourced from PubChem (CID 158322830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).