12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole

C63H41N5 — CID 164799980

IUPAC12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c5cc(-c5cccc(-c7ccccc7)c5)c5c7ccccc7n(-c7ccccc7)c56)n4)cc3)c2)cc1
InChIInChI=1S/C63H41N5/c1-5-19-42(20-6-1)47-25-17-26-48(39-47)44-35-37-46(38-36-44)62-64-61(45-23-9-3-10-24-45)65-63(66-62)68-56-34-16-14-32-53(56)59-57(68)41-54(50-28-18-27-49(40-50)43-21-7-2-8-22-43)58-52-31-13-15-33-55(52)67(60(58)59)51-29-11-4-12-30-51/h1-41H
InChIKeyRAKAGWSFJWHZRM-UHFFFAOYSA-N
MW868.06 g/mol
LogP16.07
Rot. Bonds8

About 12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole

12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole (PubChem CID 164799980) has the molecular formula C63H41N5 and a molecular weight of 868.06 g/mol. Its IUPAC name is 12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole.

Molecular Properties

Compound Name12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole
PubChem CID164799980
Molecular FormulaC63H41N5
Molecular Weight868.06 g/mol
Exact Mass867.34
IUPAC Name12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c5cc(-c5cccc(-c7ccccc7)c5)c5c7ccccc7n(-c7ccccc7)c56)n4)cc3)c2)cc1
InChIInChI=1S/C63H41N5/c1-5-19-42(20-6-1)47-25-17-26-48(39-47)44-35-37-46(38-36-44)62-64-61(45-23-9-3-10-24-45)65-63(66-62)68-56-34-16-14-32-53(56)59-57(68)41-54(50-28-18-27-49(40-50)43-21-7-2-8-22-43)58-52-31-13-15-33-55(52)67(60(58)59)51-29-11-4-12-30-51/h1-41H
InChIKeyRAKAGWSFJWHZRM-UHFFFAOYSA-N
XLogP16.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.06
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-7-(3-phenylphenyl)indolo[3,2-a]carbazole;prop-1-ene
CID 142315095
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole
CID 126628134
5,11-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255259
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole
CID 142314945
12-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 164799948
5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255408
5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164799969
12-(4-phenylphenyl)-11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-triphenylen-2-ylindolo[2,3-a]carbazole
CID 170255342
5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165031430
5,6,11-triphenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255301
5-phenyl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255377
9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 160744147

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole?
The IUPAC name of 12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole (CID 164799980) is 12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole.
What is the SMILES notation for 12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole?
The canonical SMILES for 12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole is c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c5cc(-c5cccc(-c7ccccc7)c5)c5c7ccccc7n(-c7ccccc7)c56)n4)cc3)c2)cc1.
What is the InChIKey of 12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole?
The InChIKey is RAKAGWSFJWHZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5/c1-5-19-42(20-6-1)47-25-17-26-48(39-47)44-35-37-46(38-36-44)62-64-61(45-23-9-3-10-24-45)65-63(66-62)68-56-34-16-14-32-53(56)59-57(68)41-54(50-28-18-27-49(40-50)43-21-7-2-8-22-43)58-52-31-13-15-33-55(52)67(60(58)59)51-29-11-4-12-30-51/h1-41H.
What are the key properties of 12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole?
12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole has a molecular weight of 868.06 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole is sourced from PubChem (CID 164799980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).