9-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene

C48H30N2O — CID 164795583

About 9-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene

9-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene (PubChem CID 164795583) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 9-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene.

Molecular Properties

• Compound Name: 9-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
• PubChem CID: 164795583
• Molecular Formula: C48H30N2O
• Molecular Weight: 650.78 g/mol
• Exact Mass: 650.24
• IUPAC Name: 9-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccc7c8c6c6ccccc6n8-c6ccccc6O7)cc5)cc43)cc2)cc1
• InChI: InChI=1S/C48H30N2O/c1-2-10-31(11-3-1)32-22-25-36(26-23-32)49-41-14-6-4-12-38(41)39-27-24-35(30-44(39)49)33-18-20-34(21-19-33)37-28-29-46-48-47(37)40-13-5-7-15-42(40)50(48)43-16-8-9-17-45(43)51-46/h1-30H
• InChIKey: HZQCNBJAGJHGFK-UHFFFAOYSA-N
• XLogP: 12.99
• TPSA: 19.09 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.78
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene?

The IUPAC name of 9-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene (CID 164795583) is 9-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene.

What is the SMILES notation for 9-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene?

The canonical SMILES for 9-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene is c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccc7c8c6c6ccccc6n8-c6ccccc6O7)cc5)cc43)cc2)cc1.

What is the InChIKey of 9-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene?

The InChIKey is HZQCNBJAGJHGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-2-10-31(11-3-1)32-22-25-36(26-23-32)49-41-14-6-4-12-38(41)39-27-24-35(30-44(39)49)33-18-20-34(21-19-33)37-28-29-46-48-47(37)40-13-5-7-15-42(40)50(48)43-16-8-9-17-45(43)51-46/h1-30H.

What are the key properties of 9-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene?

9-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene has a molecular weight of 650.78 g/mol, XLogP of 12.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene is sourced from PubChem (CID 164795583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).