11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C165H119N13 — CID 161090535

About 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 161090535) has the molecular formula C165H119N13 and a molecular weight of 2283.86 g/mol. Its IUPAC name is 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 161090535
• Molecular Formula: C165H119N13
• Molecular Weight: 2283.86 g/mol
• Exact Mass: 2281.97
• IUPAC Name: 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3c21
• InChI: InChI=1S/3C43H31N3.C36H26N4/c1-43(2)35-19-11-9-18-34(35)40-36(43)26-25-33-32-17-10-12-20-39(32)46(41(33)40)31-23-21-29(22-24-31)38-27-37(28-13-5-3-6-14-28)44-42(45-38)30-15-7-4-8-16-30;1-43(2)36-19-11-9-17-32(36)34-26-41-35(25-37(34)43)33-18-10-12-20-40(33)46(41)31-23-21-29(22-24-31)39-27-38(28-13-5-3-6-14-28)44-42(45-39)30-15-7-4-8-16-30;1-43(2)36-19-11-9-17-32(36)34-25-26-35-33-18-10-12-20-39(33)46(41(35)40(34)43)31-23-21-29(22-24-31)38-27-37(28-13-5-3-6-14-28)44-42(45-38)30-15-7-4-8-16-30;1-36(2)27-19-11-9-17-25(27)31-28(36)21-22-30-32(31)26-18-10-12-20-29(26)40(30)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24/h3*3-27H,1-2H3;3-22H,1-2H3
• InChIKey: UHCMGNUVJDNYKX-UHFFFAOYSA-N
• XLogP: 41.25
• TPSA: 135.73 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2283.86
LogP ≤ 5	41.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 161090535) is 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21.CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3c21.

What is the InChIKey of 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is UHCMGNUVJDNYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C43H31N3.C36H26N4/c1-43(2)35-19-11-9-18-34(35)40-36(43)26-25-33-32-17-10-12-20-39(32)46(41(33)40)31-23-21-29(22-24-31)38-27-37(28-13-5-3-6-14-28)44-42(45-38)30-15-7-4-8-16-30;1-43(2)36-19-11-9-17-32(36)34-26-41-35(25-37(34)43)33-18-10-12-20-40(33)46(41)31-23-21-29(22-24-31)39-27-38(28-13-5-3-6-14-28)44-42(45-39)30-15-7-4-8-16-30;1-43(2)36-19-11-9-17-32(36)34-25-26-35-33-18-10-12-20-39(33)46(41(35)40(34)43)31-23-21-29(22-24-31)38-27-37(28-13-5-3-6-14-28)44-42(45-38)30-15-7-4-8-16-30;1-36(2)27-19-11-9-17-25(27)31-28(36)21-22-30-32(31)26-18-10-12-20-29(26)40(30)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24/h3*3-27H,1-2H3;3-22H,1-2H3.

What are the key properties of 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 2283.86 g/mol, XLogP of 41.25, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 161090535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).