3-[2-(9-phenylcarbazol-3-yl)quinolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene

C55H32N4 — CID 130258445

About 3-[2-(9-phenylcarbazol-3-yl)quinolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene

3-[2-(9-phenylcarbazol-3-yl)quinolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene (PubChem CID 130258445) has the molecular formula C55H32N4 and a molecular weight of 748.89 g/mol. Its IUPAC name is 3-[2-(9-phenylcarbazol-3-yl)quinolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 3-[2-(9-phenylcarbazol-3-yl)quinolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
• PubChem CID: 130258445
• Molecular Formula: C55H32N4
• Molecular Weight: 748.89 g/mol
• Exact Mass: 748.26
• IUPAC Name: 3-[2-(9-phenylcarbazol-3-yl)quinolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4nc5ccccc5cc4-n4c5c6ccccc6ccc5c5cc6c7ccccc7n7c8ccccc8c(c54)c67)ccc32)cc1
• InChI: InChI=1S/C55H32N4/c1-2-16-36(17-3-1)57-46-23-11-7-19-38(46)42-30-35(27-29-49(42)57)52-50(31-34-15-5-10-22-45(34)56-52)59-53-37-18-6-4-14-33(37)26-28-40(53)44-32-43-39-20-8-12-24-47(39)58-48-25-13-9-21-41(48)51(54(43)58)55(44)59/h1-32H
• InChIKey: OCORZMNWPCZXNW-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 27.16 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.89
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-(9-phenylcarbazol-3-yl)quinolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene?

The IUPAC name of 3-[2-(9-phenylcarbazol-3-yl)quinolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene (CID 130258445) is 3-[2-(9-phenylcarbazol-3-yl)quinolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene.

What is the SMILES notation for 3-[2-(9-phenylcarbazol-3-yl)quinolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene?

The canonical SMILES for 3-[2-(9-phenylcarbazol-3-yl)quinolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene is c1ccc(-n2c3ccccc3c3cc(-c4nc5ccccc5cc4-n4c5c6ccccc6ccc5c5cc6c7ccccc7n7c8ccccc8c(c54)c67)ccc32)cc1.

What is the InChIKey of 3-[2-(9-phenylcarbazol-3-yl)quinolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene?

The InChIKey is OCORZMNWPCZXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4/c1-2-16-36(17-3-1)57-46-23-11-7-19-38(46)42-30-35(27-29-49(42)57)52-50(31-34-15-5-10-22-45(34)56-52)59-53-37-18-6-4-14-33(37)26-28-40(53)44-32-43-39-20-8-12-24-47(39)58-48-25-13-9-21-41(48)51(54(43)58)55(44)59/h1-32H.

What are the key properties of 3-[2-(9-phenylcarbazol-3-yl)quinolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene?

3-[2-(9-phenylcarbazol-3-yl)quinolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene has a molecular weight of 748.89 g/mol, XLogP of 14.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(9-phenylcarbazol-3-yl)quinolin-3-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene is sourced from PubChem (CID 130258445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).