(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+)

C58H49N5Pt — CID 170932571

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-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-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-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+) (PubChem CID 170932571) has the molecular formula C58H49N5Pt and a molecular weight of 1011.14 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-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-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-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+)
• PubChem CID: 170932571
• Molecular Formula: C58H49N5Pt
• Molecular Weight: 1011.14 g/mol
• Exact Mass: 1010.36
• 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-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+)
• SMILES: CC1=CC(C)=C(N2C(c3[c-]c(-n4c5[c-]c(-n6c7ccc(C)cc7c7cccnc76)ccc5c5cc(C)ccc54)cc(C)c3)=N[C@@H]3c4ccc(C)cc4-c4cc(C)ccc4[C@@H]32)[C@@H](C)C1.[Pt+2]
• InChI: InChI=1S/C58H49N5.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;/h9-22,24-29,39,54,56H,23H2,1-8H3;/q-2;+2/t39-,54+,56-;/m0./s1
• InChIKey: QPARTJWIFYQZIY-LCKAVZEDSA-N
• XLogP: 14.20
• TPSA: 38.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1011.14
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

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-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-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-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+) (CID 170932571) 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-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-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-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-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-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+) is CC1=CC(C)=C(N2C(c3[c-]c(-n4c5[c-]c(-n6c7ccc(C)cc7c7cccnc76)ccc5c5cc(C)ccc54)cc(C)c3)=N[C@@H]3c4ccc(C)cc4-c4cc(C)ccc4[C@@H]32)[C@@H](C)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-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+)?

The InChIKey is QPARTJWIFYQZIY-LCKAVZEDSA-N. The full InChI is InChI=1S/C58H49N5.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;/h9-22,24-29,39,54,56H,23H2,1-8H3;/q-2;+2/t39-,54+,56-;/m0./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-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-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-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+) has a molecular weight of 1011.14 g/mol, XLogP of 14.20, 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-[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+) is sourced from PubChem (CID 170932571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).