16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene

C40H24N2 — CID 90381333

About 16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene

16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene (PubChem CID 90381333) has the molecular formula C40H24N2 and a molecular weight of 532.65 g/mol. Its IUPAC name is 16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene.

Molecular Properties

• Compound Name: 16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene
• PubChem CID: 90381333
• Molecular Formula: C40H24N2
• Molecular Weight: 532.65 g/mol
• Exact Mass: 532.19
• IUPAC Name: 16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc4ccc5c(-n6c7ccccc7c7ccccc76)ccc6ccc(c4c65)c32)cc1
• InChI: InChI=1S/C40H24N2/c1-2-10-27(11-3-1)41-34-15-7-6-14-30(34)33-24-26-19-21-31-37(23-20-25-18-22-32(40(33)41)39(26)38(25)31)42-35-16-8-4-12-28(35)29-13-5-9-17-36(29)42/h1-24H
• InChIKey: RKKBAXGZZLRJND-UHFFFAOYSA-N
• XLogP: 10.78
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.65
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene?

The IUPAC name of 16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene (CID 90381333) is 16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene.

What is the SMILES notation for 16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene?

The canonical SMILES for 16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene is c1ccc(-n2c3ccccc3c3cc4ccc5c(-n6c7ccccc7c7ccccc76)ccc6ccc(c4c65)c32)cc1.

What is the InChIKey of 16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene?

The InChIKey is RKKBAXGZZLRJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2/c1-2-10-27(11-3-1)41-34-15-7-6-14-30(34)33-24-26-19-21-31-37(23-20-25-18-22-32(40(33)41)39(26)38(25)31)42-35-16-8-4-12-28(35)29-13-5-9-17-36(29)42/h1-24H.

What are the key properties of 16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene?

16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene has a molecular weight of 532.65 g/mol, XLogP of 10.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene is sourced from PubChem (CID 90381333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).