9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole

C84H56N4 — CID 163995412

About 9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole

9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole (PubChem CID 163995412) has the molecular formula C84H56N4 and a molecular weight of 1121.40 g/mol. Its IUPAC name is 9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
• PubChem CID: 163995412
• Molecular Formula: C84H56N4
• Molecular Weight: 1121.40 g/mol
• Exact Mass: 1120.45
• IUPAC Name: 9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
• SMILES: C1=c2c(n(-c3cccc(-c4cc(-c5cc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)c3)c3ccccc23)=CCC1
• InChI: InChI=1S/C84H56N4/c1-9-37-77-69(29-1)70-30-2-10-38-78(70)85(77)65-25-17-21-55(51-65)59-45-60(56-22-18-26-66(52-56)86-79-39-11-3-31-71(79)72-32-4-12-40-80(72)86)48-63(47-59)64-49-61(57-23-19-27-67(53-57)87-81-41-13-5-33-73(81)74-34-6-14-42-82(74)87)46-62(50-64)58-24-20-28-68(54-58)88-83-43-15-7-35-75(83)76-36-8-16-44-84(76)88/h1-7,9-15,17-54H,8,16H2
• InChIKey: UEFZFMXEJFAMTJ-UHFFFAOYSA-N
• XLogP: 20.61
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1121.40
LogP ≤ 5	20.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole?

The IUPAC name of 9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole (CID 163995412) is 9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole.

What is the SMILES notation for 9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole?

The canonical SMILES for 9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole is C1=c2c(n(-c3cccc(-c4cc(-c5cc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)c3)c3ccccc23)=CCC1.

What is the InChIKey of 9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole?

The InChIKey is UEFZFMXEJFAMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56N4/c1-9-37-77-69(29-1)70-30-2-10-38-78(70)85(77)65-25-17-21-55(51-65)59-45-60(56-22-18-26-66(52-56)86-79-39-11-3-31-71(79)72-32-4-12-40-80(72)86)48-63(47-59)64-49-61(57-23-19-27-67(53-57)87-81-41-13-5-33-73(81)74-34-6-14-42-82(74)87)46-62(50-64)58-24-20-28-68(54-58)88-83-43-15-7-35-75(83)76-36-8-16-44-84(76)88/h1-7,9-15,17-54H,8,16H2.

What are the key properties of 9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole?

9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole has a molecular weight of 1121.40 g/mol, XLogP of 20.61, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 163995412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).