7-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]benzo[c]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]benzo[a]carbazole;11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]benzo[a]carbazole

C118H76N8O2 — CID 159206064

About 7-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]benzo[c]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]benzo[a]carbazole;11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]benzo[a]carbazole

7-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]benzo[c]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]benzo[a]carbazole;11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]benzo[a]carbazole (PubChem CID 159206064) has the molecular formula C118H76N8O2 and a molecular weight of 1637.96 g/mol. Its IUPAC name is 7-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]benzo[c]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]benzo[a]carbazole;11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]benzo[a]carbazole.

Molecular Properties

• Compound Name: 7-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]benzo[c]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]benzo[a]carbazole;11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]benzo[a]carbazole
• PubChem CID: 159206064
• Molecular Formula: C118H76N8O2
• Molecular Weight: 1637.96 g/mol
• Exact Mass: 1636.61
• IUPAC Name: 7-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]benzo[c]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]benzo[a]carbazole;11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]benzo[a]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6ccc7ccccc7c65)n4)c3)cc21.c1ccc2c(c1)ccc1c2c2ccccc2n1-c1ccc(-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cn1.c1ccc2c(c1)ccc1c3ccccc3n(-c3nccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)n3)c21
• InChI: InChI=1S/C41H29N3.C39H24N2O.C38H23N3O/c1-41(2)35-16-7-5-14-31(35)32-20-19-28(25-36(32)41)27-11-9-12-29(24-27)37-22-23-42-40(43-37)44-38-17-8-6-15-33(38)34-21-18-26-10-3-4-13-30(26)39(34)44;1-2-8-30-27(7-1)17-20-35-39(30)32-10-3-5-11-34(32)41(35)38-22-19-29(24-40-38)26-15-13-25(14-16-26)28-18-21-37-33(23-28)31-9-4-6-12-36(31)42-37;1-2-9-27-24(8-1)20-21-31-29-10-3-5-14-34(29)41(36(27)31)38-39-23-22-33(40-38)26-18-16-25(17-19-26)28-12-7-13-32-30-11-4-6-15-35(30)42-37(28)32/h3-25H,1-2H3;1-24H;1-23H
• InChIKey: KPXBAIYANWNUPF-UHFFFAOYSA-N
• XLogP: 30.89
• TPSA: 105.52 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1637.96
LogP ≤ 5	30.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]benzo[c]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]benzo[a]carbazole;11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]benzo[a]carbazole?

The IUPAC name of 7-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]benzo[c]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]benzo[a]carbazole;11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]benzo[a]carbazole (CID 159206064) is 7-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]benzo[c]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]benzo[a]carbazole;11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]benzo[a]carbazole.

What is the SMILES notation for 7-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]benzo[c]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]benzo[a]carbazole;11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]benzo[a]carbazole?

The canonical SMILES for 7-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]benzo[c]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]benzo[a]carbazole;11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]benzo[a]carbazole is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6ccc7ccccc7c65)n4)c3)cc21.c1ccc2c(c1)ccc1c2c2ccccc2n1-c1ccc(-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cn1.c1ccc2c(c1)ccc1c3ccccc3n(-c3nccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)n3)c21.

What is the InChIKey of 7-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]benzo[c]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]benzo[a]carbazole;11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]benzo[a]carbazole?

The InChIKey is KPXBAIYANWNUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3.C39H24N2O.C38H23N3O/c1-41(2)35-16-7-5-14-31(35)32-20-19-28(25-36(32)41)27-11-9-12-29(24-27)37-22-23-42-40(43-37)44-38-17-8-6-15-33(38)34-21-18-26-10-3-4-13-30(26)39(34)44;1-2-8-30-27(7-1)17-20-35-39(30)32-10-3-5-11-34(32)41(35)38-22-19-29(24-40-38)26-15-13-25(14-16-26)28-18-21-37-33(23-28)31-9-4-6-12-36(31)42-37;1-2-9-27-24(8-1)20-21-31-29-10-3-5-14-34(29)41(36(27)31)38-39-23-22-33(40-38)26-18-16-25(17-19-26)28-12-7-13-32-30-11-4-6-15-35(30)42-37(28)32/h3-25H,1-2H3;1-24H;1-23H.

What are the key properties of 7-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]benzo[c]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]benzo[a]carbazole;11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]benzo[a]carbazole?

7-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]benzo[c]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]benzo[a]carbazole;11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]benzo[a]carbazole has a molecular weight of 1637.96 g/mol, XLogP of 30.89, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]benzo[c]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]benzo[a]carbazole;11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]benzo[a]carbazole is sourced from PubChem (CID 159206064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).