12-(2-bromophenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-1,10-diazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene

C93H61BrN10 — CID 165017265

About 12-(2-bromophenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-1,10-diazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene

12-(2-bromophenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-1,10-diazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene (PubChem CID 165017265) has the molecular formula C93H61BrN10 and a molecular weight of 1398.48 g/mol. Its IUPAC name is 12-(2-bromophenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-1,10-diazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene.

Molecular Properties

• Compound Name: 12-(2-bromophenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-1,10-diazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene
• PubChem CID: 165017265
• Molecular Formula: C93H61BrN10
• Molecular Weight: 1398.48 g/mol
• Exact Mass: 1396.43
• IUPAC Name: 12-(2-bromophenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-1,10-diazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene
• SMILES: Brc1ccccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21.CC1(C)c2ccccc2-n2c3c1cccc3c1ccc3c(c4ccccc4n3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c12
• InChI: InChI=1S/C48H33N5.C45H28BrN5/c1-48(2)37-20-10-12-23-40(37)53-43-34(19-13-21-38(43)48)35-28-29-41-42(44(35)53)36-18-9-11-22-39(36)52(41)33-26-24-32(25-27-33)47-50-45(30-14-5-3-6-15-30)49-46(51-47)31-16-7-4-8-17-31;46-36-19-9-12-22-39(36)51-37-20-10-7-17-33(37)34-27-28-40-41(42(34)51)35-18-8-11-21-38(35)50(40)32-25-23-31(24-26-32)45-48-43(29-13-3-1-4-14-29)47-44(49-45)30-15-5-2-6-16-30/h3-29H,1-2H3;1-28H
• InChIKey: KPRRPKGBACHLIH-UHFFFAOYSA-N
• XLogP: 23.54
• TPSA: 97.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1398.48
LogP ≤ 5	23.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 12-(2-bromophenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-1,10-diazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene?

The IUPAC name of 12-(2-bromophenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-1,10-diazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene (CID 165017265) is 12-(2-bromophenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-1,10-diazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene.

What is the SMILES notation for 12-(2-bromophenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-1,10-diazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene?

The canonical SMILES for 12-(2-bromophenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-1,10-diazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene is Brc1ccccc1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c21.CC1(C)c2ccccc2-n2c3c1cccc3c1ccc3c(c4ccccc4n3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c12.

What is the InChIKey of 12-(2-bromophenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-1,10-diazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene?

The InChIKey is KPRRPKGBACHLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N5.C45H28BrN5/c1-48(2)37-20-10-12-23-40(37)53-43-34(19-13-21-38(43)48)35-28-29-41-42(44(35)53)36-18-9-11-22-39(36)52(41)33-26-24-32(25-27-33)47-50-45(30-14-5-3-6-15-30)49-46(51-47)31-16-7-4-8-17-31;46-36-19-9-12-22-39(36)51-37-20-10-7-17-33(37)34-27-28-40-41(42(34)51)35-18-8-11-21-38(35)50(40)32-25-23-31(24-26-32)45-48-43(29-13-3-1-4-14-29)47-44(49-45)30-15-5-2-6-16-30/h3-29H,1-2H3;1-28H.

What are the key properties of 12-(2-bromophenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-1,10-diazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene?

12-(2-bromophenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-1,10-diazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene has a molecular weight of 1398.48 g/mol, XLogP of 23.54, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(2-bromophenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-1,10-diazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene is sourced from PubChem (CID 165017265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).