7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole

C52H34N4 — CID 163730968

About 7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole

7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole (PubChem CID 163730968) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole.

Molecular Properties

• Compound Name: 7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole
• PubChem CID: 163730968
• Molecular Formula: C52H34N4
• Molecular Weight: 714.87 g/mol
• Exact Mass: 714.28
• IUPAC Name: 7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2c4ccccc4n(-c4ccc(-c5ccc(-n6c7ccncc7c7cc[nH]c76)cc5)cc4)c32)cc1
• InChI: InChI=1S/C52H34N4/c1-3-11-36(12-4-1)52(37-13-5-2-6-14-37)45-17-9-7-16-43(45)49-46(52)28-27-41-40-15-8-10-18-47(40)55(50(41)49)38-23-19-34(20-24-38)35-21-25-39(26-22-35)56-48-30-31-53-33-44(48)42-29-32-54-51(42)56/h1-33,54H
• InChIKey: KZMQYJXEQFKVEY-UHFFFAOYSA-N
• XLogP: 12.63
• TPSA: 38.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.87
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole?

The IUPAC name of 7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole (CID 163730968) is 7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole.

What is the SMILES notation for 7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole?

The canonical SMILES for 7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole is c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2c4ccccc4n(-c4ccc(-c5ccc(-n6c7ccncc7c7cc[nH]c76)cc5)cc4)c32)cc1.

What is the InChIKey of 7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole?

The InChIKey is KZMQYJXEQFKVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-3-11-36(12-4-1)52(37-13-5-2-6-14-37)45-17-9-7-16-43(45)49-46(52)28-27-41-40-15-8-10-18-47(40)55(50(41)49)38-23-19-34(20-24-38)35-21-25-39(26-22-35)56-48-30-31-53-33-44(48)42-29-32-54-51(42)56/h1-33,54H.

What are the key properties of 7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole?

7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole has a molecular weight of 714.87 g/mol, XLogP of 12.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-diphenyl-12-[4-[4-(5,7,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-7-yl)phenyl]phenyl]indeno[1,2-a]carbazole is sourced from PubChem (CID 163730968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).