6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,3-dimethylchrysene-6,12-diamine;6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N-(1H-inden-5-yl)-12-N-(3H-inden-5-yl)-2,3,8-trimethylchrysene-6,12-diamine;6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-6-N,12-N-bis(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,8-di(propan-2-yl)chrysene-6,12-diamine

C185H180N6 — CID 157474608

IUPAC6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,3-dimethylchrysene-6,12-diamine;6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N-(1H-inden-5-yl)-12-N-(3H-inden-5-yl)-2,3,8-trimethylchrysene-6,12-diamine;6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-6-N,12-N-bis(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,8-di(propan-2-yl)chrysene-6,12-diamine
SMILESCC(C)c1ccc2c(c1)c(N(c1ccc3c(c1)CCC3(C)C)c1ccc3c(c1)C(C)(C)CC3)cc1c3ccc(C(C)C)cc3c(N(c3ccc4c(c3)CCC4(C)C)c3ccc4c(c3)C(C)(C)CC4)cc21.Cc1cc2c(N(c3ccc4c(c3)CCC4)c3ccc4c(c3)CCC4(C)C)cc3c4ccccc4c(N(c4ccc5c(c4)CCC5)c4ccc5c(c4)CCC5(C)C)cc3c2cc1C.Cc1ccc2c(c1)c(N(c1ccc3c(c1)C=CC3)c1ccc3c(c1)CCC3)cc1c3cc(C)c(C)cc3c(N(c3ccc4c(c3)CC=C4)c3ccc4c(c3)CCC4)cc21
InChIInChI=1S/C68H74N2.C60H58N2.C57H48N2/c1-41(2)45-15-21-53-55-40-64(70(50-20-24-60-48(34-50)28-32-66(60,7)8)52-18-14-44-26-30-68(11,12)62(44)38-52)58-36-46(42(3)4)16-22-54(58)56(55)39-63(57(53)35-45)69(49-19-23-59-47(33-49)27-31-65(59,5)6)51-17-13-43-25-29-67(9,10)61(43)37-51;1-37-29-51-53-36-57(61(45-19-17-39-11-9-13-41(39)31-45)47-21-23-55-43(33-47)25-27-59(55,3)4)50-16-8-7-15-49(50)52(53)35-58(54(51)30-38(37)2)62(46-20-18-40-12-10-14-42(40)32-46)48-22-24-56-44(34-48)26-28-60(56,5)6;1-35-16-25-50-52-33-57(59(48-23-19-40-10-6-14-44(40)31-48)49-24-20-41-11-7-15-45(41)32-49)55-28-37(3)36(2)27-51(55)53(52)34-56(54(50)26-35)58(46-21-17-38-8-4-12-42(38)29-46)47-22-18-39-9-5-13-43(39)30-47/h13-24,33-42H,25-32H2,1-12H3;7-8,15-24,29-36H,9-14,25-28H2,1-6H3;4,6,10,12,16-34H,5,7-9,11,13-15H2,1-3H3
InChIKeyBVLBOMJYKWMOMX-UHFFFAOYSA-N
MW2487.52 g/mol
LogP50.48
Rot. Bonds20

About 6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,3-dimethylchrysene-6,12-diamine;6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N-(1H-inden-5-yl)-12-N-(3H-inden-5-yl)-2,3,8-trimethylchrysene-6,12-diamine;6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-6-N,12-N-bis(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,8-di(propan-2-yl)chrysene-6,12-diamine

6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,3-dimethylchrysene-6,12-diamine;6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N-(1H-inden-5-yl)-12-N-(3H-inden-5-yl)-2,3,8-trimethylchrysene-6,12-diamine;6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-6-N,12-N-bis(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,8-di(propan-2-yl)chrysene-6,12-diamine (PubChem CID 157474608) has the molecular formula C185H180N6 and a molecular weight of 2487.52 g/mol. Its IUPAC name is 6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,3-dimethylchrysene-6,12-diamine;6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N-(1H-inden-5-yl)-12-N-(3H-inden-5-yl)-2,3,8-trimethylchrysene-6,12-diamine;6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-6-N,12-N-bis(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,8-di(propan-2-yl)chrysene-6,12-diamine.

Molecular Properties

Compound Name6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,3-dimethylchrysene-6,12-diamine;6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N-(1H-inden-5-yl)-12-N-(3H-inden-5-yl)-2,3,8-trimethylchrysene-6,12-diamine;6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-6-N,12-N-bis(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,8-di(propan-2-yl)chrysene-6,12-diamine
PubChem CID157474608
Molecular FormulaC185H180N6
Molecular Weight2487.52 g/mol
Exact Mass2485.43
IUPAC Name6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,3-dimethylchrysene-6,12-diamine;6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N-(1H-inden-5-yl)-12-N-(3H-inden-5-yl)-2,3,8-trimethylchrysene-6,12-diamine;6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-6-N,12-N-bis(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,8-di(propan-2-yl)chrysene-6,12-diamine
SMILESCC(C)c1ccc2c(c1)c(N(c1ccc3c(c1)CCC3(C)C)c1ccc3c(c1)C(C)(C)CC3)cc1c3ccc(C(C)C)cc3c(N(c3ccc4c(c3)CCC4(C)C)c3ccc4c(c3)C(C)(C)CC4)cc21.Cc1cc2c(N(c3ccc4c(c3)CCC4)c3ccc4c(c3)CCC4(C)C)cc3c4ccccc4c(N(c4ccc5c(c4)CCC5)c4ccc5c(c4)CCC5(C)C)cc3c2cc1C.Cc1ccc2c(c1)c(N(c1ccc3c(c1)C=CC3)c1ccc3c(c1)CCC3)cc1c3cc(C)c(C)cc3c(N(c3ccc4c(c3)CC=C4)c3ccc4c(c3)CCC4)cc21
InChIInChI=1S/C68H74N2.C60H58N2.C57H48N2/c1-41(2)45-15-21-53-55-40-64(70(50-20-24-60-48(34-50)28-32-66(60,7)8)52-18-14-44-26-30-68(11,12)62(44)38-52)58-36-46(42(3)4)16-22-54(58)56(55)39-63(57(53)35-45)69(49-19-23-59-47(33-49)27-31-65(59,5)6)51-17-13-43-25-29-67(9,10)61(43)37-51;1-37-29-51-53-36-57(61(45-19-17-39-11-9-13-41(39)31-45)47-21-23-55-43(33-47)25-27-59(55,3)4)50-16-8-7-15-49(50)52(53)35-58(54(51)30-38(37)2)62(46-20-18-40-12-10-14-42(40)32-46)48-22-24-56-44(34-48)26-28-60(56,5)6;1-35-16-25-50-52-33-57(59(48-23-19-40-10-6-14-44(40)31-48)49-24-20-41-11-7-15-45(41)32-49)55-28-37(3)36(2)27-51(55)53(52)34-56(54(50)26-35)58(46-21-17-38-8-4-12-42(38)29-46)47-22-18-39-9-5-13-43(39)30-47/h13-24,33-42H,25-32H2,1-12H3;7-8,15-24,29-36H,9-14,25-28H2,1-6H3;4,6,10,12,16-34H,5,7-9,11,13-15H2,1-3H3
InChIKeyBVLBOMJYKWMOMX-UHFFFAOYSA-N
XLogP50.48
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms191
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002487.52
LogP ≤ 550.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,3-dimethylchrysene-6,12-diamine;6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N-(1H-inden-5-yl)-12-N-(3H-inden-5-yl)-2,3,8-trimethylchrysene-6,12-diamine;6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-6-N,12-N-bis(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,8-di(propan-2-yl)chrysene-6,12-diamine with MolForge

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Related Compounds

6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-propan-2-ylchrysene-6,12-diamine
CID 59793169
6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,9-dimethylchrysene-6,12-diamine
CID 89224693
2-tert-butyl-6-N,12-N-diphenyl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-tert-butyl-6-N,12-N-diphenyl-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;2-methyl-6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine
CID 158150656
12-N,12-N-bis(3,4-dimethylphenyl)-2,3-dimethyl-6-N,6-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-methyl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-2-propan-2-yl-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,3,8,9-tetramethylchrysene-6,12-diamine
CID 159982516
6-N,12-N-bis(4-cyclohexylphenyl)-2,8-dimethyl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-cyclohexylphenyl)-2,8-di(propan-2-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-cyclohexylphenyl)-2-propan-2-yl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-tert-butyl-6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 159540355
2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 59793119
9-N,10-N-bis(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-2,6-dimethyl-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 122663792
6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(3,4-dimethylphenyl)-3,9-di(propan-2-yl)chrysene-6,12-diamine
CID 59793019
6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[4-[2-(4-propan-2-ylphenyl)phenyl]phenyl]chrysene-6,12-diamine
CID 140561610
6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene;1,3,6,8-tetrakis(3,5-dimethylphenyl)pyrene;1,3,6,8-tetraphenylpyrene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 158900860
6-N,6-N,12-N,12-N-tetrakis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine
CID 59514978
6-N-(3-tert-butylphenyl)-12-N-(3,5-dimethylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 58599792

Frequently Asked Questions

What is the IUPAC name of 6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,3-dimethylchrysene-6,12-diamine;6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N-(1H-inden-5-yl)-12-N-(3H-inden-5-yl)-2,3,8-trimethylchrysene-6,12-diamine;6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-6-N,12-N-bis(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,8-di(propan-2-yl)chrysene-6,12-diamine?
The IUPAC name of 6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,3-dimethylchrysene-6,12-diamine;6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N-(1H-inden-5-yl)-12-N-(3H-inden-5-yl)-2,3,8-trimethylchrysene-6,12-diamine;6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-6-N,12-N-bis(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,8-di(propan-2-yl)chrysene-6,12-diamine (CID 157474608) is 6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,3-dimethylchrysene-6,12-diamine;6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N-(1H-inden-5-yl)-12-N-(3H-inden-5-yl)-2,3,8-trimethylchrysene-6,12-diamine;6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-6-N,12-N-bis(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,8-di(propan-2-yl)chrysene-6,12-diamine.
What is the SMILES notation for 6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,3-dimethylchrysene-6,12-diamine;6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N-(1H-inden-5-yl)-12-N-(3H-inden-5-yl)-2,3,8-trimethylchrysene-6,12-diamine;6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-6-N,12-N-bis(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,8-di(propan-2-yl)chrysene-6,12-diamine?
The canonical SMILES for 6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,3-dimethylchrysene-6,12-diamine;6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N-(1H-inden-5-yl)-12-N-(3H-inden-5-yl)-2,3,8-trimethylchrysene-6,12-diamine;6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-6-N,12-N-bis(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,8-di(propan-2-yl)chrysene-6,12-diamine is CC(C)c1ccc2c(c1)c(N(c1ccc3c(c1)CCC3(C)C)c1ccc3c(c1)C(C)(C)CC3)cc1c3ccc(C(C)C)cc3c(N(c3ccc4c(c3)CCC4(C)C)c3ccc4c(c3)C(C)(C)CC4)cc21.Cc1cc2c(N(c3ccc4c(c3)CCC4)c3ccc4c(c3)CCC4(C)C)cc3c4ccccc4c(N(c4ccc5c(c4)CCC5)c4ccc5c(c4)CCC5(C)C)cc3c2cc1C.Cc1ccc2c(c1)c(N(c1ccc3c(c1)C=CC3)c1ccc3c(c1)CCC3)cc1c3cc(C)c(C)cc3c(N(c3ccc4c(c3)CC=C4)c3ccc4c(c3)CCC4)cc21.
What is the InChIKey of 6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,3-dimethylchrysene-6,12-diamine;6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N-(1H-inden-5-yl)-12-N-(3H-inden-5-yl)-2,3,8-trimethylchrysene-6,12-diamine;6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-6-N,12-N-bis(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,8-di(propan-2-yl)chrysene-6,12-diamine?
The InChIKey is BVLBOMJYKWMOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H74N2.C60H58N2.C57H48N2/c1-41(2)45-15-21-53-55-40-64(70(50-20-24-60-48(34-50)28-32-66(60,7)8)52-18-14-44-26-30-68(11,12)62(44)38-52)58-36-46(42(3)4)16-22-54(58)56(55)39-63(57(53)35-45)69(49-19-23-59-47(33-49)27-31-65(59,5)6)51-17-13-43-25-29-67(9,10)61(43)37-51;1-37-29-51-53-36-57(61(45-19-17-39-11-9-13-41(39)31-45)47-21-23-55-43(33-47)25-27-59(55,3)4)50-16-8-7-15-49(50)52(53)35-58(54(51)30-38(37)2)62(46-20-18-40-12-10-14-42(40)32-46)48-22-24-56-44(34-48)26-28-60(56,5)6;1-35-16-25-50-52-33-57(59(48-23-19-40-10-6-14-44(40)31-48)49-24-20-41-11-7-15-45(41)32-49)55-28-37(3)36(2)27-51(55)53(52)34-56(54(50)26-35)58(46-21-17-38-8-4-12-42(38)29-46)47-22-18-39-9-5-13-43(39)30-47/h13-24,33-42H,25-32H2,1-12H3;7-8,15-24,29-36H,9-14,25-28H2,1-6H3;4,6,10,12,16-34H,5,7-9,11,13-15H2,1-3H3.
What are the key properties of 6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,3-dimethylchrysene-6,12-diamine;6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N-(1H-inden-5-yl)-12-N-(3H-inden-5-yl)-2,3,8-trimethylchrysene-6,12-diamine;6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-6-N,12-N-bis(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,8-di(propan-2-yl)chrysene-6,12-diamine?
6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,3-dimethylchrysene-6,12-diamine;6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N-(1H-inden-5-yl)-12-N-(3H-inden-5-yl)-2,3,8-trimethylchrysene-6,12-diamine;6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-6-N,12-N-bis(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,8-di(propan-2-yl)chrysene-6,12-diamine has a molecular weight of 2487.52 g/mol, XLogP of 50.48, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-2,3-dimethylchrysene-6,12-diamine;6-N,12-N-bis(2,3-dihydro-1H-inden-5-yl)-6-N-(1H-inden-5-yl)-12-N-(3H-inden-5-yl)-2,3,8-trimethylchrysene-6,12-diamine;6-N,12-N-bis(1,1-dimethyl-2,3-dihydroinden-5-yl)-6-N,12-N-bis(3,3-dimethyl-1,2-dihydroinden-5-yl)-2,8-di(propan-2-yl)chrysene-6,12-diamine is sourced from PubChem (CID 157474608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).