14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C48H30N2O — CID 167192768

About 14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 167192768) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• PubChem CID: 167192768
• Molecular Formula: C48H30N2O
• Molecular Weight: 650.78 g/mol
• Exact Mass: 650.24
• IUPAC Name: 14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• SMILES: c1ccc(-c2ccc3c(c2)oc2ccc4c(c5ccccc5n4-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c23)cc1
• InChI: InChI=1S/C48H30N2O/c1-2-10-31(11-3-1)34-22-27-40-46(30-34)51-45-29-28-44-47(48(40)45)39-14-6-9-17-43(39)50(44)36-25-20-33(21-26-36)32-18-23-35(24-19-32)49-41-15-7-4-12-37(41)38-13-5-8-16-42(38)49/h1-30H
• InChIKey: OFTQYHVPTGTMCE-UHFFFAOYSA-N
• XLogP: 13.11
• TPSA: 23.00 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	13.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The IUPAC name of 14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 167192768) is 14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

What is the SMILES notation for 14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The canonical SMILES for 14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is c1ccc(-c2ccc3c(c2)oc2ccc4c(c5ccccc5n4-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c23)cc1.

What is the InChIKey of 14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

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

What are the key properties of 14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 650.78 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 167192768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).