9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydropyridin-2-yl]-[1]benzofuro[3,2-c]carbazole

C121H83N11O — CID 161239620

About 9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydropyridin-2-yl]-[1]benzofuro[3,2-c]carbazole

9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydropyridin-2-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 161239620) has the molecular formula C121H83N11O and a molecular weight of 1707.07 g/mol. Its IUPAC name is 9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydropyridin-2-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydropyridin-2-yl]-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 161239620
• Molecular Formula: C121H83N11O
• Molecular Weight: 1707.07 g/mol
• Exact Mass: 1705.68
• IUPAC Name: 9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydropyridin-2-yl]-[1]benzofuro[3,2-c]carbazole
• SMILES: C1=CC(n2c3ccccc3c3c4oc5ccccc5c4ccc32)NC(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)=C1.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c3cc21.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1
• InChI: InChI=1S/C43H31N3.C40H27N3.C38H25N5O/c1-43(2)36-19-11-9-17-32(36)34-25-35-33-18-10-12-20-40(33)46(41(35)26-37(34)43)31-23-21-30(22-24-31)42-44-38(28-13-5-3-6-14-28)27-39(45-42)29-15-7-4-8-16-29;1-3-11-28(12-4-1)30-19-23-32(24-20-30)36-27-37(33-25-21-31(22-26-33)29-13-5-2-6-14-29)42-40(41-36)43-38-17-9-7-15-34(38)35-16-8-10-18-39(35)43;1-3-12-24(13-4-1)36-40-37(25-14-5-2-6-15-25)42-38(41-36)29-18-11-21-33(39-29)43-30-19-9-7-17-28(30)34-31(43)23-22-27-26-16-8-10-20-32(26)44-35(27)34/h3-27H,1-2H3;1-27H;1-23,33,39H
• InChIKey: UZVCKIADGAQEAV-UHFFFAOYSA-N
• XLogP: 30.03
• TPSA: 130.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1707.07
LogP ≤ 5	30.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydropyridin-2-yl]-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydropyridin-2-yl]-[1]benzofuro[3,2-c]carbazole (CID 161239620) is 9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydropyridin-2-yl]-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydropyridin-2-yl]-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydropyridin-2-yl]-[1]benzofuro[3,2-c]carbazole is C1=CC(n2c3ccccc3c3c4oc5ccccc5c4ccc32)NC(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)=C1.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c3cc21.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.

What is the InChIKey of 9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydropyridin-2-yl]-[1]benzofuro[3,2-c]carbazole?

The InChIKey is UZVCKIADGAQEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3.C40H27N3.C38H25N5O/c1-43(2)36-19-11-9-17-32(36)34-25-35-33-18-10-12-20-40(33)46(41(35)26-37(34)43)31-23-21-30(22-24-31)42-44-38(28-13-5-3-6-14-28)27-39(45-42)29-15-7-4-8-16-29;1-3-11-28(12-4-1)30-19-23-32(24-20-30)36-27-37(33-25-21-31(22-26-33)29-13-5-2-6-14-29)42-40(41-36)43-38-17-9-7-15-34(38)35-16-8-10-18-39(35)43;1-3-12-24(13-4-1)36-40-37(25-14-5-2-6-15-25)42-38(41-36)29-18-11-21-33(39-29)43-30-19-9-7-17-28(30)34-31(43)23-22-27-26-16-8-10-20-32(26)44-35(27)34/h3-27H,1-2H3;1-27H;1-23,33,39H.

What are the key properties of 9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydropyridin-2-yl]-[1]benzofuro[3,2-c]carbazole?

9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydropyridin-2-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1707.07 g/mol, XLogP of 30.03, 13 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-dihydropyridin-2-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 161239620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).