(3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+)

C58H47N5Pt — CID 170932323

IUPAC(3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+)
SMILESCc1cc(C2=N[C@@H]3c4ccc(C)cc4-c4cc(C)ccc4[C@@H]3N2c2c(C)cc(C)cc2C)[c-]c(-n2c3[c-]c(-n4c5ccc(C)cc5c5cccnc54)ccc3c3cc(C)ccc32)c1.[Pt+2]
InChIInChI=1S/C58H47N5.Pt/c1-32-11-16-44-47(26-32)48-27-33(2)12-17-45(48)56-54(44)60-57(63(56)55-38(7)22-36(5)23-39(55)8)40-24-37(6)25-42(30-40)61-51-19-13-34(3)28-49(51)43-18-15-41(31-53(43)61)62-52-20-14-35(4)29-50(52)46-10-9-21-59-58(46)62;/h9-29,54,56H,1-8H3;/q-2;+2/t54-,56+;/m1./s1
InChIKeyRPIXWIFSOSTDHP-VVPUEYGRSA-N
MW1009.13 g/mol
LogP14.07
Rot. Bonds4

About (3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+)

(3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+) (PubChem CID 170932323) has the molecular formula C58H47N5Pt and a molecular weight of 1009.13 g/mol. Its IUPAC name is (3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+).

Molecular Properties

Compound Name(3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+)
PubChem CID170932323
Molecular FormulaC58H47N5Pt
Molecular Weight1009.13 g/mol
Exact Mass1008.35
IUPAC Name(3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+)
SMILESCc1cc(C2=N[C@@H]3c4ccc(C)cc4-c4cc(C)ccc4[C@@H]3N2c2c(C)cc(C)cc2C)[c-]c(-n2c3[c-]c(-n4c5ccc(C)cc5c5cccnc54)ccc3c3cc(C)ccc32)c1.[Pt+2]
InChIInChI=1S/C58H47N5.Pt/c1-32-11-16-44-47(26-32)48-27-33(2)12-17-45(48)56-54(44)60-57(63(56)55-38(7)22-36(5)23-39(55)8)40-24-37(6)25-42(30-40)61-51-19-13-34(3)28-49(51)43-18-15-41(31-53(43)61)62-52-20-14-35(4)29-50(52)46-10-9-21-59-58(46)62;/h9-29,54,56H,1-8H3;/q-2;+2/t54-,56+;/m1./s1
InChIKeyRPIXWIFSOSTDHP-VVPUEYGRSA-N
XLogP14.07
TPSA38.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.13
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+) with MolForge

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Related Compounds

(3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+)
CID 170932571
9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+)
CID 170934702
(3aR,6aS)-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole;platinum(2+)
CID 170933834
CID 170935897
CID 170935897
(1S,9R)-11-[3-tert-butyl-5-[6-methyl-2-(6-phenylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-5,6,9,19-tetramethyl-14-propan-2-yl-10,12-diazapentacyclo[10.8.0.01,9.03,8.013,18]icosa-3(8),4,6,10,13(18),14,16-heptaene;platinum(2+)
CID 170935560
(4R)-2-[3-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+)
CID 170934803
(3aR,9aS)-3a,4,4,5,7-pentamethyl-2-[6-methyl-2-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]-3H-pyridin-3-id-4-yl]-9,9a-dihydrobenzo[f][1,3]benzoxazole;platinum(2+)
CID 170932492
9-[3-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-6-methylpyrido[2,3-b]indole;platinum(2+)
CID 170933264
9-[9-[3-[(5R)-3-(3,5-ditert-butylphenyl)-5-(2,4-dimethylpentan-3-yl)-5-methyl-4H-imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-3,6-dimethyl-1H-carbazol-1-id-2-yl]-6-phenylpyrido[2,3-b]indole;platinum(2+)
CID 170934458
9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 170934355
CID 155773497
CID 155773497
CID 170935591
CID 170935591

Frequently Asked Questions

What is the IUPAC name of (3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+)?
The IUPAC name of (3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+) (CID 170932323) is (3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+).
What is the SMILES notation for (3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+)?
The canonical SMILES for (3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+) is Cc1cc(C2=N[C@@H]3c4ccc(C)cc4-c4cc(C)ccc4[C@@H]3N2c2c(C)cc(C)cc2C)[c-]c(-n2c3[c-]c(-n4c5ccc(C)cc5c5cccnc54)ccc3c3cc(C)ccc32)c1.[Pt+2].
What is the InChIKey of (3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+)?
The InChIKey is RPIXWIFSOSTDHP-VVPUEYGRSA-N. The full InChI is InChI=1S/C58H47N5.Pt/c1-32-11-16-44-47(26-32)48-27-33(2)12-17-45(48)56-54(44)60-57(63(56)55-38(7)22-36(5)23-39(55)8)40-24-37(6)25-42(30-40)61-51-19-13-34(3)28-49(51)43-18-15-41(31-53(43)61)62-52-20-14-35(4)29-50(52)46-10-9-21-59-58(46)62;/h9-29,54,56H,1-8H3;/q-2;+2/t54-,56+;/m1./s1.
What are the key properties of (3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+)?
(3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+) has a molecular weight of 1009.13 g/mol, XLogP of 14.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+) is sourced from PubChem (CID 170932323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).