5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole

C54H34N8 — CID 169037359

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)n2)cc1
InChIInChI=1S/C54H34N8/c1-5-19-35(20-6-1)49-55-50(36-21-7-2-8-22-36)58-53(57-49)42-29-15-18-32-45(42)61-43-30-16-13-27-39(43)40-33-34-46-47(48(40)61)41-28-14-17-31-44(41)62(46)54-59-51(37-23-9-3-10-24-37)56-52(60-54)38-25-11-4-12-26-38/h1-34H
InChIKeyQHYINBHYOZTPTO-UHFFFAOYSA-N
MW794.92 g/mol
LogP12.59
Rot. Bonds7

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole (PubChem CID 169037359) has the molecular formula C54H34N8 and a molecular weight of 794.92 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
PubChem CID169037359
Molecular FormulaC54H34N8
Molecular Weight794.92 g/mol
Exact Mass794.29
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)n2)cc1
InChIInChI=1S/C54H34N8/c1-5-19-35(20-6-1)49-55-50(36-21-7-2-8-22-36)58-53(57-49)42-29-15-18-32-45(42)61-43-30-16-13-27-39(43)40-33-34-46-47(48(40)61)41-28-14-17-31-44(41)62(46)54-59-51(37-23-9-3-10-24-37)56-52(60-54)38-25-11-4-12-26-38/h1-34H
InChIKeyQHYINBHYOZTPTO-UHFFFAOYSA-N
XLogP12.59
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.92
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 146573174
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 169036916
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 169037460
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4-phenyl-6-quinolin-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 169037291
5,12-bis(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole sulfide
CID 158568390
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene
CID 135297330
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169037564
12-(2,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 167154472
5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155183616
9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 170669730
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169037201
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 170268493

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole (CID 169037359) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole?
The InChIKey is QHYINBHYOZTPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N8/c1-5-19-35(20-6-1)49-55-50(36-21-7-2-8-22-36)58-53(57-49)42-29-15-18-32-45(42)61-43-30-16-13-27-39(43)40-33-34-46-47(48(40)61)41-28-14-17-31-44(41)62(46)54-59-51(37-23-9-3-10-24-37)56-52(60-54)38-25-11-4-12-26-38/h1-34H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 794.92 g/mol, XLogP of 12.59, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 169037359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).