(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+)

C47H41N5OPt — CID 170932492

About (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+)

(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+) (PubChem CID 170932492) has the molecular formula C47H41N5OPt and a molecular weight of 886.96 g/mol. Its IUPAC name is (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+).

Molecular Properties

• Compound Name: (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+)
• PubChem CID: 170932492
• Molecular Formula: C47H41N5OPt
• Molecular Weight: 886.96 g/mol
• Exact Mass: 886.30
• IUPAC Name: (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+)
• SMILES: Cc1cc(C)c2c(c1)C[C@@H]1OC(c3[c-]c(-n4c5[c-]c(-n6c7ccc(C)cc7c7cccnc76)ccc5c5cc(C)ccc54)nc(C)c3)=N[C@]1(C)C2(C)C.[Pt+2]
• InChI: InChI=1S/C47H41N5O.Pt/c1-26-12-16-39-36(20-26)34-14-13-33(51-38-15-11-27(2)21-37(38)35-10-9-17-48-44(35)51)25-40(34)52(39)42-24-32(22-30(5)49-42)45-50-47(8)41(53-45)23-31-19-28(3)18-29(4)43(31)46(47,6)7;/h9-22,41H,23H2,1-8H3;/q-2;+2/t41-,47-;/m0./s1
• InChIKey: YEEIQNQADQOEEX-UHKYSGHMSA-N
• XLogP: 10.25
• TPSA: 57.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.96
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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+)?

The IUPAC name of (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) is (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+).

What is the SMILES notation for (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+)?

The canonical SMILES for (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+) is Cc1cc(C)c2c(c1)C[C@@H]1OC(c3[c-]c(-n4c5[c-]c(-n6c7ccc(C)cc7c7cccnc76)ccc5c5cc(C)ccc54)nc(C)c3)=N[C@]1(C)C2(C)C.[Pt+2].

What is the InChIKey of (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+)?

The InChIKey is YEEIQNQADQOEEX-UHKYSGHMSA-N. The full InChI is InChI=1S/C47H41N5O.Pt/c1-26-12-16-39-36(20-26)34-14-13-33(51-38-15-11-27(2)21-37(38)35-10-9-17-48-44(35)51)25-40(34)52(39)42-24-32(22-30(5)49-42)45-50-47(8)41(53-45)23-31-19-28(3)18-29(4)43(31)46(47,6)7;/h9-22,41H,23H2,1-8H3;/q-2;+2/t41-,47-;/m0./s1.

What are the key properties of (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+)?

(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+) has a molecular weight of 886.96 g/mol, XLogP of 10.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (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+) is sourced from PubChem (CID 170932492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).