13,15-di(carbazol-9-yl)-11,11-dimethyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene

C41H28N4 — CID 129129121

About 13,15-di(carbazol-9-yl)-11,11-dimethyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene

13,15-di(carbazol-9-yl)-11,11-dimethyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene (PubChem CID 129129121) has the molecular formula C41H28N4 and a molecular weight of 576.70 g/mol. Its IUPAC name is 13,15-di(carbazol-9-yl)-11,11-dimethyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene.

Molecular Properties

• Compound Name: 13,15-di(carbazol-9-yl)-11,11-dimethyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
• PubChem CID: 129129121
• Molecular Formula: C41H28N4
• Molecular Weight: 576.70 g/mol
• Exact Mass: 576.23
• IUPAC Name: 13,15-di(carbazol-9-yl)-11,11-dimethyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
• SMILES: CC1(C)c2ccc3ccccc3c2-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c21
• InChI: InChI=1S/C41H28N4/c1-41(2)31-24-23-25-13-3-4-14-26(25)36(31)38-37(41)39(44-32-19-9-5-15-27(32)28-16-6-10-20-33(28)44)43-40(42-38)45-34-21-11-7-17-29(34)30-18-8-12-22-35(30)45/h3-24H,1-2H3
• InChIKey: UQTOPMOJIVNZKK-UHFFFAOYSA-N
• XLogP: 10.13
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.70
LogP ≤ 5	10.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 13,15-di(carbazol-9-yl)-11,11-dimethyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?

The IUPAC name of 13,15-di(carbazol-9-yl)-11,11-dimethyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene (CID 129129121) is 13,15-di(carbazol-9-yl)-11,11-dimethyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene.

What is the SMILES notation for 13,15-di(carbazol-9-yl)-11,11-dimethyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?

The canonical SMILES for 13,15-di(carbazol-9-yl)-11,11-dimethyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene is CC1(C)c2ccc3ccccc3c2-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c21.

What is the InChIKey of 13,15-di(carbazol-9-yl)-11,11-dimethyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?

The InChIKey is UQTOPMOJIVNZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4/c1-41(2)31-24-23-25-13-3-4-14-26(25)36(31)38-37(41)39(44-32-19-9-5-15-27(32)28-16-6-10-20-33(28)44)43-40(42-38)45-34-21-11-7-17-29(34)30-18-8-12-22-35(30)45/h3-24H,1-2H3.

What are the key properties of 13,15-di(carbazol-9-yl)-11,11-dimethyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?

13,15-di(carbazol-9-yl)-11,11-dimethyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene has a molecular weight of 576.70 g/mol, XLogP of 10.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 13,15-di(carbazol-9-yl)-11,11-dimethyl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene is sourced from PubChem (CID 129129121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).