5-[7-[2-(2-chlorobenzo[h]quinazolin-4-yl)phenyl]-9-phenylcarbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene

C58H33ClN4 — CID 134301038

About 5-[7-[2-(2-chlorobenzo[h]quinazolin-4-yl)phenyl]-9-phenylcarbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene

5-[7-[2-(2-chlorobenzo[h]quinazolin-4-yl)phenyl]-9-phenylcarbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene (PubChem CID 134301038) has the molecular formula C58H33ClN4 and a molecular weight of 821.38 g/mol. Its IUPAC name is 5-[7-[2-(2-chlorobenzo[h]quinazolin-4-yl)phenyl]-9-phenylcarbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 5-[7-[2-(2-chlorobenzo[h]quinazolin-4-yl)phenyl]-9-phenylcarbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
• PubChem CID: 134301038
• Molecular Formula: C58H33ClN4
• Molecular Weight: 821.38 g/mol
• Exact Mass: 820.24
• IUPAC Name: 5-[7-[2-(2-chlorobenzo[h]quinazolin-4-yl)phenyl]-9-phenylcarbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
• SMILES: Clc1nc(-c2ccccc2-c2ccc3c4cc(-c5ccc6[nH]c7cc8c9c(cccc9c7c6c5)-c5ccccc5-8)ccc4n(-c4ccccc4)c3c2)c2ccc3ccccc3c2n1
• InChI: InChI=1S/C58H33ClN4/c59-58-61-56-39-15-5-4-11-33(39)21-26-46(56)57(62-58)44-18-9-6-14-38(44)36-22-25-42-47-29-35(24-28-52(47)63(53(42)31-36)37-12-2-1-3-13-37)34-23-27-50-49(30-34)55-45-20-10-19-43-40-16-7-8-17-41(40)48(54(43)45)32-51(55)60-50/h1-32,60H
• InChIKey: MHCJNQHVJVGQMN-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 46.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.38
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[7-[2-(2-chlorobenzo[h]quinazolin-4-yl)phenyl]-9-phenylcarbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?

The IUPAC name of 5-[7-[2-(2-chlorobenzo[h]quinazolin-4-yl)phenyl]-9-phenylcarbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene (CID 134301038) is 5-[7-[2-(2-chlorobenzo[h]quinazolin-4-yl)phenyl]-9-phenylcarbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene.

What is the SMILES notation for 5-[7-[2-(2-chlorobenzo[h]quinazolin-4-yl)phenyl]-9-phenylcarbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?

The canonical SMILES for 5-[7-[2-(2-chlorobenzo[h]quinazolin-4-yl)phenyl]-9-phenylcarbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene is Clc1nc(-c2ccccc2-c2ccc3c4cc(-c5ccc6[nH]c7cc8c9c(cccc9c7c6c5)-c5ccccc5-8)ccc4n(-c4ccccc4)c3c2)c2ccc3ccccc3c2n1.

What is the InChIKey of 5-[7-[2-(2-chlorobenzo[h]quinazolin-4-yl)phenyl]-9-phenylcarbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?

The InChIKey is MHCJNQHVJVGQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H33ClN4/c59-58-61-56-39-15-5-4-11-33(39)21-26-46(56)57(62-58)44-18-9-6-14-38(44)36-22-25-42-47-29-35(24-28-52(47)63(53(42)31-36)37-12-2-1-3-13-37)34-23-27-50-49(30-34)55-45-20-10-19-43-40-16-7-8-17-41(40)48(54(43)45)32-51(55)60-50/h1-32,60H.

What are the key properties of 5-[7-[2-(2-chlorobenzo[h]quinazolin-4-yl)phenyl]-9-phenylcarbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?

5-[7-[2-(2-chlorobenzo[h]quinazolin-4-yl)phenyl]-9-phenylcarbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene has a molecular weight of 821.38 g/mol, XLogP of 15.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[2-(2-chlorobenzo[h]quinazolin-4-yl)phenyl]-9-phenylcarbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene is sourced from PubChem (CID 134301038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).