10,10-dimethyl-22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene

C65H44N4 — CID 118362782

About 10,10-dimethyl-22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene

10,10-dimethyl-22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene (PubChem CID 118362782) has the molecular formula C65H44N4 and a molecular weight of 881.10 g/mol. Its IUPAC name is 10,10-dimethyl-22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene.

Molecular Properties

• Compound Name: 10,10-dimethyl-22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene
• PubChem CID: 118362782
• Molecular Formula: C65H44N4
• Molecular Weight: 881.10 g/mol
• Exact Mass: 880.36
• IUPAC Name: 10,10-dimethyl-22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc21)C=Cc1cc(-c2ccc4c(c2)c2ccccc2n4-c2ccccc2)ccc1N3c1nc(-c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2n1
• InChI: InChI=1S/C65H44N4/c1-65(2)56-24-11-8-20-51(56)54-40-62-47(39-57(54)65)32-31-46-37-44(45-34-36-61-55(38-45)52-21-10-13-26-60(52)68(61)48-17-4-3-5-18-48)33-35-59(46)69(62)64-66-58-25-12-9-22-53(58)63(67-64)43-29-27-42(28-30-43)50-23-14-16-41-15-6-7-19-49(41)50/h3-40H,1-2H3
• InChIKey: FQNHUOUOWAWLCE-UHFFFAOYSA-N
• XLogP: 17.14
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.10
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene?

The IUPAC name of 10,10-dimethyl-22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene (CID 118362782) is 10,10-dimethyl-22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene.

What is the SMILES notation for 10,10-dimethyl-22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene?

The canonical SMILES for 10,10-dimethyl-22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene is CC1(C)c2ccccc2-c2cc3c(cc21)C=Cc1cc(-c2ccc4c(c2)c2ccccc2n4-c2ccccc2)ccc1N3c1nc(-c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2n1.

What is the InChIKey of 10,10-dimethyl-22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene?

The InChIKey is FQNHUOUOWAWLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N4/c1-65(2)56-24-11-8-20-51(56)54-40-62-47(39-57(54)65)32-31-46-37-44(45-34-36-61-55(38-45)52-21-10-13-26-60(52)68(61)48-17-4-3-5-18-48)33-35-59(46)69(62)64-66-58-25-12-9-22-53(58)63(67-64)43-29-27-42(28-30-43)50-23-14-16-41-15-6-7-19-49(41)50/h3-40H,1-2H3.

What are the key properties of 10,10-dimethyl-22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene?

10,10-dimethyl-22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene has a molecular weight of 881.10 g/mol, XLogP of 17.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-22-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene is sourced from PubChem (CID 118362782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).