CID 162027642

C244H209B5N26O5Pt5 — CID 162027642

IUPAC—
SMILESCc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N(C)B(c4c(C(C)(C)C)cc(C(C)(C)C)cc4C(C)(C)C)n4ccnc4-5)ccc3c3ccccc32)cc1C.Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N(C)B(c4c(C(C)C)cccc4C(C)C)n4cc(-c6c(-c7ccccc7)cccc6-c6ccccc6)nc4-5)ccc3c3ccccc32)cc1C.Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N(c4c(-c6ccccc6)cccc4-c4ccccc4)B(c4c(C)cccc4C)n4ccnc4-5)ccc3c3ccccc32)cc1C.Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N(c4c(C(C)C)cccc4C(C)C)B4c6ccccc6C(C)(C)c6cnc-5n64)ccc3c3ccccc32)cc1C.Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N4B(N(C)c6ccccc64)n4ccnc4-5)ccc3c3ccccc32)cc1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C59H50BN5O.C54H40BN5O.C49H44BN5O.C47H50BN5O.C35H25BN6O.5Pt/c1-37(2)45-23-16-24-46(38(3)4)58(45)60-63(7)53-31-29-43(66-44-28-30-50-49-22-14-15-27-54(49)65(55(50)34-44)56-32-39(5)40(6)35-61-56)33-51(53)59-62-52(36-64(59)60)57-47(41-18-10-8-11-19-41)25-17-26-48(57)42-20-12-9-13-21-42;1-35-15-13-16-36(2)52(35)55-58-30-29-56-54(58)47-32-41(61-42-25-27-46-45-21-11-12-24-48(45)59(50(46)33-42)51-31-37(3)38(4)34-57-51)26-28-49(47)60(55)53-43(39-17-7-5-8-18-39)22-14-23-44(53)40-19-9-6-10-20-40;1-29(2)35-15-13-16-36(30(3)4)47(35)54-43-23-21-33(25-39(43)48-52-28-45-49(7,8)40-17-10-11-18-41(40)50(54)55(45)48)56-34-20-22-38-37-14-9-12-19-42(37)53(44(38)26-34)46-24-31(5)32(6)27-51-46;1-29-23-42(50-28-30(29)2)53-40-16-14-13-15-34(40)35-19-17-33(27-41(35)53)54-32-18-20-39-36(26-32)44-49-21-22-52(44)48(51(39)12)43-37(46(6,7)8)24-31(45(3,4)5)25-38(43)47(9,10)11;1-22-18-34(38-21-23(22)2)41-29-9-5-4-8-26(29)27-14-12-25(20-33(27)41)43-24-13-15-30-28(19-24)35-37-16-17-40(35)36-39(3)31-10-6-7-11-32(31)42(30)36;;;;;/h8-32,35-38H,1-7H3;5-31,34H,1-4H3;9-24,27-30H,1-8H3;13-25,28H,1-12H3;4-18,21H,1-3H3;;;;;/q5*-2;5*+2
InChIKeyBCJVMHWPISLVBX-UHFFFAOYSA-N
MW4614.98 g/mol
LogP55.83
Rot. Bonds29

About CID 162027642

CID 162027642 (PubChem CID 162027642) has the molecular formula C244H209B5N26O5Pt5 and a molecular weight of 4614.98 g/mol.

Molecular Properties

Compound NameCID 162027642
PubChem CID162027642
Molecular FormulaC244H209B5N26O5Pt5
Molecular Weight4614.98 g/mol
Exact Mass4612.56
IUPAC Name—
SMILESCc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N(C)B(c4c(C(C)(C)C)cc(C(C)(C)C)cc4C(C)(C)C)n4ccnc4-5)ccc3c3ccccc32)cc1C.Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N(C)B(c4c(C(C)C)cccc4C(C)C)n4cc(-c6c(-c7ccccc7)cccc6-c6ccccc6)nc4-5)ccc3c3ccccc32)cc1C.Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N(c4c(-c6ccccc6)cccc4-c4ccccc4)B(c4c(C)cccc4C)n4ccnc4-5)ccc3c3ccccc32)cc1C.Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N(c4c(C(C)C)cccc4C(C)C)B4c6ccccc6C(C)(C)c6cnc-5n64)ccc3c3ccccc32)cc1C.Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N4B(N(C)c6ccccc64)n4ccnc4-5)ccc3c3ccccc32)cc1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C59H50BN5O.C54H40BN5O.C49H44BN5O.C47H50BN5O.C35H25BN6O.5Pt/c1-37(2)45-23-16-24-46(38(3)4)58(45)60-63(7)53-31-29-43(66-44-28-30-50-49-22-14-15-27-54(49)65(55(50)34-44)56-32-39(5)40(6)35-61-56)33-51(53)59-62-52(36-64(59)60)57-47(41-18-10-8-11-19-41)25-17-26-48(57)42-20-12-9-13-21-42;1-35-15-13-16-36(2)52(35)55-58-30-29-56-54(58)47-32-41(61-42-25-27-46-45-21-11-12-24-48(45)59(50(46)33-42)51-31-37(3)38(4)34-57-51)26-28-49(47)60(55)53-43(39-17-7-5-8-18-39)22-14-23-44(53)40-19-9-6-10-20-40;1-29(2)35-15-13-16-36(30(3)4)47(35)54-43-23-21-33(25-39(43)48-52-28-45-49(7,8)40-17-10-11-18-41(40)50(54)55(45)48)56-34-20-22-38-37-14-9-12-19-42(37)53(44(38)26-34)46-24-31(5)32(6)27-51-46;1-29-23-42(50-28-30(29)2)53-40-16-14-13-15-34(40)35-19-17-33(27-41(35)53)54-32-18-20-39-36(26-32)44-49-21-22-52(44)48(51(39)12)43-37(46(6,7)8)24-31(45(3,4)5)25-38(43)47(9,10)11;1-22-18-34(38-21-23(22)2)41-29-9-5-4-8-26(29)27-14-12-25(20-33(27)41)43-24-13-15-30-28(19-24)35-37-16-17-40(35)36-39(3)31-10-6-7-11-32(31)42(30)36;;;;;/h8-32,35-38H,1-7H3;5-31,34H,1-4H3;9-24,27-30H,1-8H3;13-25,28H,1-12H3;4-18,21H,1-3H3;;;;;/q5*-2;5*+2
InChIKeyBCJVMHWPISLVBX-UHFFFAOYSA-N
XLogP55.83
TPSA243.79 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds29
Heavy Atoms285
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004614.98
LogP ≤ 555.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze CID 162027642 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 155616281
CID 155616281
5-(2,6-dimethylphenyl)-9-[[9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-methyl-10H-imidazo[1,2-c][1,3,2]benzodiazaborinin-10-ide;platinum(2+)
CID 155616069
CID 155616457
CID 155616457
CID 166589295
CID 166589295
CID 158526792
CID 158526792
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 169066090
CID 165374942
CID 165374942
2-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[2,6-di(propan-2-yl)phenyl]-1,3,2-benzodiazaborol-1-ide;platinum
CID 167354123
9-[4-(4-tert-butyl-2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 164704733
9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,4,6-tritert-butylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 153413163
CID 165375274
CID 165375274
9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-[2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 176756887

Frequently Asked Questions

What is the IUPAC name of CID 162027642?
The IUPAC name of CID 162027642 (CID 162027642) is not available.
What is the SMILES notation for CID 162027642?
The canonical SMILES for CID 162027642 is Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N(C)B(c4c(C(C)(C)C)cc(C(C)(C)C)cc4C(C)(C)C)n4ccnc4-5)ccc3c3ccccc32)cc1C.Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N(C)B(c4c(C(C)C)cccc4C(C)C)n4cc(-c6c(-c7ccccc7)cccc6-c6ccccc6)nc4-5)ccc3c3ccccc32)cc1C.Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N(c4c(-c6ccccc6)cccc4-c4ccccc4)B(c4c(C)cccc4C)n4ccnc4-5)ccc3c3ccccc32)cc1C.Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N(c4c(C(C)C)cccc4C(C)C)B4c6ccccc6C(C)(C)c6cnc-5n64)ccc3c3ccccc32)cc1C.Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N4B(N(C)c6ccccc64)n4ccnc4-5)ccc3c3ccccc32)cc1C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 162027642?
The InChIKey is BCJVMHWPISLVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H50BN5O.C54H40BN5O.C49H44BN5O.C47H50BN5O.C35H25BN6O.5Pt/c1-37(2)45-23-16-24-46(38(3)4)58(45)60-63(7)53-31-29-43(66-44-28-30-50-49-22-14-15-27-54(49)65(55(50)34-44)56-32-39(5)40(6)35-61-56)33-51(53)59-62-52(36-64(59)60)57-47(41-18-10-8-11-19-41)25-17-26-48(57)42-20-12-9-13-21-42;1-35-15-13-16-36(2)52(35)55-58-30-29-56-54(58)47-32-41(61-42-25-27-46-45-21-11-12-24-48(45)59(50(46)33-42)51-31-37(3)38(4)34-57-51)26-28-49(47)60(55)53-43(39-17-7-5-8-18-39)22-14-23-44(53)40-19-9-6-10-20-40;1-29(2)35-15-13-16-36(30(3)4)47(35)54-43-23-21-33(25-39(43)48-52-28-45-49(7,8)40-17-10-11-18-41(40)50(54)55(45)48)56-34-20-22-38-37-14-9-12-19-42(37)53(44(38)26-34)46-24-31(5)32(6)27-51-46;1-29-23-42(50-28-30(29)2)53-40-16-14-13-15-34(40)35-19-17-33(27-41(35)53)54-32-18-20-39-36(26-32)44-49-21-22-52(44)48(51(39)12)43-37(46(6,7)8)24-31(45(3,4)5)25-38(43)47(9,10)11;1-22-18-34(38-21-23(22)2)41-29-9-5-4-8-26(29)27-14-12-25(20-33(27)41)43-24-13-15-30-28(19-24)35-37-16-17-40(35)36-39(3)31-10-6-7-11-32(31)42(30)36;;;;;/h8-32,35-38H,1-7H3;5-31,34H,1-4H3;9-24,27-30H,1-8H3;13-25,28H,1-12H3;4-18,21H,1-3H3;;;;;/q5*-2;5*+2.
What are the key properties of CID 162027642?
CID 162027642 has a molecular weight of 4614.98 g/mol, XLogP of 55.83, 29 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162027642 is sourced from PubChem (CID 162027642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).