3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazole;9,9-dimethyl-3-(9-phenyl-9H-fluoren-3-yl)fluorene;9-phenyl-2,6-bis(9-phenylcarbazol-2-yl)carbazole

C172H114N6OS — CID 157302401

About 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazole;9,9-dimethyl-3-(9-phenyl-9H-fluoren-3-yl)fluorene;9-phenyl-2,6-bis(9-phenylcarbazol-2-yl)carbazole

3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazole;9,9-dimethyl-3-(9-phenyl-9H-fluoren-3-yl)fluorene;9-phenyl-2,6-bis(9-phenylcarbazol-2-yl)carbazole (PubChem CID 157302401) has the molecular formula C172H114N6OS and a molecular weight of 2312.91 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazole;9,9-dimethyl-3-(9-phenyl-9H-fluoren-3-yl)fluorene;9-phenyl-2,6-bis(9-phenylcarbazol-2-yl)carbazole.

Molecular Properties

• Compound Name: 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazole;9,9-dimethyl-3-(9-phenyl-9H-fluoren-3-yl)fluorene;9-phenyl-2,6-bis(9-phenylcarbazol-2-yl)carbazole
• PubChem CID: 157302401
• Molecular Formula: C172H114N6OS
• Molecular Weight: 2312.91 g/mol
• Exact Mass: 2310.88
• IUPAC Name: 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazole;9,9-dimethyl-3-(9-phenyl-9H-fluoren-3-yl)fluorene;9-phenyl-2,6-bis(9-phenylcarbazol-2-yl)carbazole
• SMILES: CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)-c3ccccc3C4c3ccccc3)ccc21.c1ccc(-n2c3ccccc3c3c(-c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc4n5-c4ccccc4)cc32)cc1
• InChI: InChI=1S/C54H35N3.C48H30N2O.C36H23NS.C34H26/c1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)45-28-24-37(33-52(45)55)36-27-31-51-48(32-36)47-30-26-39(35-54(47)57(51)42-18-8-3-9-19-42)38-25-29-46-44-21-11-13-23-50(44)56(53(46)34-38)41-16-6-2-7-17-41;1-2-11-34(12-3-1)49-43-18-7-4-13-37(43)41-29-32(23-27-45(41)49)33-24-28-46-42(30-33)38-14-5-8-19-44(38)50(46)35-25-21-31(22-26-35)36-16-10-17-40-39-15-6-9-20-47(39)51-48(36)40;1-2-9-27(10-3-1)37-32-14-6-4-12-31(32)36-28(13-8-15-33(36)37)25-19-17-24(18-20-25)26-21-22-30-29-11-5-7-16-34(29)38-35(30)23-26;1-34(2)31-15-9-8-13-26(31)30-21-24(17-19-32(30)34)23-16-18-28-29(20-23)25-12-6-7-14-27(25)33(28)22-10-4-3-5-11-22/h1-35H;1-30H;1-23H;3-21,33H,1-2H3
• InChIKey: BCBBEJFTEWMLTE-UHFFFAOYSA-N
• XLogP: 46.73
• TPSA: 42.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2312.91
LogP ≤ 5	46.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazole;9,9-dimethyl-3-(9-phenyl-9H-fluoren-3-yl)fluorene;9-phenyl-2,6-bis(9-phenylcarbazol-2-yl)carbazole?

The IUPAC name of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazole;9,9-dimethyl-3-(9-phenyl-9H-fluoren-3-yl)fluorene;9-phenyl-2,6-bis(9-phenylcarbazol-2-yl)carbazole (CID 157302401) is 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazole;9,9-dimethyl-3-(9-phenyl-9H-fluoren-3-yl)fluorene;9-phenyl-2,6-bis(9-phenylcarbazol-2-yl)carbazole.

What is the SMILES notation for 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazole;9,9-dimethyl-3-(9-phenyl-9H-fluoren-3-yl)fluorene;9-phenyl-2,6-bis(9-phenylcarbazol-2-yl)carbazole?

The canonical SMILES for 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazole;9,9-dimethyl-3-(9-phenyl-9H-fluoren-3-yl)fluorene;9-phenyl-2,6-bis(9-phenylcarbazol-2-yl)carbazole is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)-c3ccccc3C4c3ccccc3)ccc21.c1ccc(-n2c3ccccc3c3c(-c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)cccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc4n5-c4ccccc4)cc32)cc1.

What is the InChIKey of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazole;9,9-dimethyl-3-(9-phenyl-9H-fluoren-3-yl)fluorene;9-phenyl-2,6-bis(9-phenylcarbazol-2-yl)carbazole?

The InChIKey is BCBBEJFTEWMLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3.C48H30N2O.C36H23NS.C34H26/c1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)45-28-24-37(33-52(45)55)36-27-31-51-48(32-36)47-30-26-39(35-54(47)57(51)42-18-8-3-9-19-42)38-25-29-46-44-21-11-13-23-50(44)56(53(46)34-38)41-16-6-2-7-17-41;1-2-11-34(12-3-1)49-43-18-7-4-13-37(43)41-29-32(23-27-45(41)49)33-24-28-46-42(30-33)38-14-5-8-19-44(38)50(46)35-25-21-31(22-26-35)36-16-10-17-40-39-15-6-9-20-47(39)51-48(36)40;1-2-9-27(10-3-1)37-32-14-6-4-12-31(32)36-28(13-8-15-33(36)37)25-19-17-24(18-20-25)26-21-22-30-29-11-5-7-16-34(29)38-35(30)23-26;1-34(2)31-15-9-8-13-26(31)30-21-24(17-19-32(30)34)23-16-18-28-29(20-23)25-12-6-7-14-27(25)33(28)22-10-4-3-5-11-22/h1-35H;1-30H;1-23H;3-21,33H,1-2H3.

What are the key properties of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazole;9,9-dimethyl-3-(9-phenyl-9H-fluoren-3-yl)fluorene;9-phenyl-2,6-bis(9-phenylcarbazol-2-yl)carbazole?

3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazole;9,9-dimethyl-3-(9-phenyl-9H-fluoren-3-yl)fluorene;9-phenyl-2,6-bis(9-phenylcarbazol-2-yl)carbazole has a molecular weight of 2312.91 g/mol, XLogP of 46.73, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazole;9,9-dimethyl-3-(9-phenyl-9H-fluoren-3-yl)fluorene;9-phenyl-2,6-bis(9-phenylcarbazol-2-yl)carbazole is sourced from PubChem (CID 157302401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).