3-[9-[3,5-bis(2-fluorophenyl)phenyl]carbazol-3-yl]-9-(2-fluorophenyl)carbazole;9-[3,5-bis(2-methylphenyl)phenyl]-3-(4-carbazol-9-ylphenyl)carbazole;3-[9-[3-(4-methylphenyl)-5-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole

C147H99F3N6 — CID 158544568

About 3-[9-[3,5-bis(2-fluorophenyl)phenyl]carbazol-3-yl]-9-(2-fluorophenyl)carbazole;9-[3,5-bis(2-methylphenyl)phenyl]-3-(4-carbazol-9-ylphenyl)carbazole;3-[9-[3-(4-methylphenyl)-5-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[3,5-bis(2-fluorophenyl)phenyl]carbazol-3-yl]-9-(2-fluorophenyl)carbazole;9-[3,5-bis(2-methylphenyl)phenyl]-3-(4-carbazol-9-ylphenyl)carbazole;3-[9-[3-(4-methylphenyl)-5-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 158544568) has the molecular formula C147H99F3N6 and a molecular weight of 2006.44 g/mol. Its IUPAC name is 3-[9-[3,5-bis(2-fluorophenyl)phenyl]carbazol-3-yl]-9-(2-fluorophenyl)carbazole;9-[3,5-bis(2-methylphenyl)phenyl]-3-(4-carbazol-9-ylphenyl)carbazole;3-[9-[3-(4-methylphenyl)-5-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[3,5-bis(2-fluorophenyl)phenyl]carbazol-3-yl]-9-(2-fluorophenyl)carbazole;9-[3,5-bis(2-methylphenyl)phenyl]-3-(4-carbazol-9-ylphenyl)carbazole;3-[9-[3-(4-methylphenyl)-5-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole
• PubChem CID: 158544568
• Molecular Formula: C147H99F3N6
• Molecular Weight: 2006.44 g/mol
• Exact Mass: 2004.79
• IUPAC Name: 3-[9-[3,5-bis(2-fluorophenyl)phenyl]carbazol-3-yl]-9-(2-fluorophenyl)carbazole;9-[3,5-bis(2-methylphenyl)phenyl]-3-(4-carbazol-9-ylphenyl)carbazole;3-[9-[3-(4-methylphenyl)-5-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole
• SMILES: Cc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.Cc1ccccc1-c1cc(-c2ccccc2C)cc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)c1.Fc1ccccc1-c1cc(-c2ccccc2F)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4F)ccc32)c1
• InChI: InChI=1S/C50H36N2.C49H34N2.C48H29F3N2/c1-33-13-3-5-15-41(33)37-29-38(42-16-6-4-14-34(42)2)31-40(30-37)52-49-22-12-9-19-45(49)46-32-36(25-28-50(46)52)35-23-26-39(27-24-35)51-47-20-10-7-17-43(47)44-18-8-11-21-48(44)51;1-33-20-22-35(23-21-33)39-28-38(34-12-4-2-5-13-34)29-41(30-39)51-47-19-11-9-17-43(47)45-32-37(25-27-49(45)51)36-24-26-48-44(31-36)42-16-8-10-18-46(42)50(48)40-14-6-3-7-15-40;49-41-15-5-1-11-35(41)32-25-33(36-12-2-6-16-42(36)50)27-34(26-32)52-44-18-8-3-13-37(44)39-28-30(21-23-46(39)52)31-22-24-47-40(29-31)38-14-4-9-19-45(38)53(47)48-20-10-7-17-43(48)51/h3-32H,1-2H3;2-32H,1H3;1-29H
• InChIKey: HOYIRMRSRJCFFN-UHFFFAOYSA-N
• XLogP: 39.99
• TPSA: 29.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2006.44
LogP ≤ 5	39.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3,5-bis(2-fluorophenyl)phenyl]carbazol-3-yl]-9-(2-fluorophenyl)carbazole;9-[3,5-bis(2-methylphenyl)phenyl]-3-(4-carbazol-9-ylphenyl)carbazole;3-[9-[3-(4-methylphenyl)-5-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole?

The IUPAC name of 3-[9-[3,5-bis(2-fluorophenyl)phenyl]carbazol-3-yl]-9-(2-fluorophenyl)carbazole;9-[3,5-bis(2-methylphenyl)phenyl]-3-(4-carbazol-9-ylphenyl)carbazole;3-[9-[3-(4-methylphenyl)-5-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole (CID 158544568) is 3-[9-[3,5-bis(2-fluorophenyl)phenyl]carbazol-3-yl]-9-(2-fluorophenyl)carbazole;9-[3,5-bis(2-methylphenyl)phenyl]-3-(4-carbazol-9-ylphenyl)carbazole;3-[9-[3-(4-methylphenyl)-5-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[9-[3,5-bis(2-fluorophenyl)phenyl]carbazol-3-yl]-9-(2-fluorophenyl)carbazole;9-[3,5-bis(2-methylphenyl)phenyl]-3-(4-carbazol-9-ylphenyl)carbazole;3-[9-[3-(4-methylphenyl)-5-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[9-[3,5-bis(2-fluorophenyl)phenyl]carbazol-3-yl]-9-(2-fluorophenyl)carbazole;9-[3,5-bis(2-methylphenyl)phenyl]-3-(4-carbazol-9-ylphenyl)carbazole;3-[9-[3-(4-methylphenyl)-5-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole is Cc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.Cc1ccccc1-c1cc(-c2ccccc2C)cc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)c1.Fc1ccccc1-c1cc(-c2ccccc2F)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4F)ccc32)c1.

What is the InChIKey of 3-[9-[3,5-bis(2-fluorophenyl)phenyl]carbazol-3-yl]-9-(2-fluorophenyl)carbazole;9-[3,5-bis(2-methylphenyl)phenyl]-3-(4-carbazol-9-ylphenyl)carbazole;3-[9-[3-(4-methylphenyl)-5-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole?

The InChIKey is HOYIRMRSRJCFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2.C49H34N2.C48H29F3N2/c1-33-13-3-5-15-41(33)37-29-38(42-16-6-4-14-34(42)2)31-40(30-37)52-49-22-12-9-19-45(49)46-32-36(25-28-50(46)52)35-23-26-39(27-24-35)51-47-20-10-7-17-43(47)44-18-8-11-21-48(44)51;1-33-20-22-35(23-21-33)39-28-38(34-12-4-2-5-13-34)29-41(30-39)51-47-19-11-9-17-43(47)45-32-37(25-27-49(45)51)36-24-26-48-44(31-36)42-16-8-10-18-46(42)50(48)40-14-6-3-7-15-40;49-41-15-5-1-11-35(41)32-25-33(36-12-2-6-16-42(36)50)27-34(26-32)52-44-18-8-3-13-37(44)39-28-30(21-23-46(39)52)31-22-24-47-40(29-31)38-14-4-9-19-45(38)53(47)48-20-10-7-17-43(48)51/h3-32H,1-2H3;2-32H,1H3;1-29H.

What are the key properties of 3-[9-[3,5-bis(2-fluorophenyl)phenyl]carbazol-3-yl]-9-(2-fluorophenyl)carbazole;9-[3,5-bis(2-methylphenyl)phenyl]-3-(4-carbazol-9-ylphenyl)carbazole;3-[9-[3-(4-methylphenyl)-5-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole?

3-[9-[3,5-bis(2-fluorophenyl)phenyl]carbazol-3-yl]-9-(2-fluorophenyl)carbazole;9-[3,5-bis(2-methylphenyl)phenyl]-3-(4-carbazol-9-ylphenyl)carbazole;3-[9-[3-(4-methylphenyl)-5-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 2006.44 g/mol, XLogP of 39.99, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[3,5-bis(2-fluorophenyl)phenyl]carbazol-3-yl]-9-(2-fluorophenyl)carbazole;9-[3,5-bis(2-methylphenyl)phenyl]-3-(4-carbazol-9-ylphenyl)carbazole;3-[9-[3-(4-methylphenyl)-5-phenylphenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 158544568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).