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

C57H35N9 — CID 169037291

IUPAC5-(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
SMILESc1ccc(-c2nc(-c3ccc4ccccc4n3)nc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)n2)cc1
InChIInChI=1S/C57H35N9/c1-4-19-37(20-5-1)52-60-55(62-56(61-52)45-34-32-36-18-10-14-28-44(36)58-45)43-27-13-17-31-48(43)65-46-29-15-11-25-40(46)41-33-35-49-50(51(41)65)42-26-12-16-30-47(42)66(49)57-63-53(38-21-6-2-7-22-38)59-54(64-57)39-23-8-3-9-24-39/h1-35H
InChIKeyBQVLSOGWJZBRQR-UHFFFAOYSA-N
MW845.97 g/mol
LogP13.13
Rot. Bonds7

About 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

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 (PubChem CID 169037291) has the molecular formula C57H35N9 and a molecular weight of 845.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID169037291
Molecular FormulaC57H35N9
Molecular Weight845.97 g/mol
Exact Mass845.30
IUPAC Name5-(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
SMILESc1ccc(-c2nc(-c3ccc4ccccc4n3)nc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)n2)cc1
InChIInChI=1S/C57H35N9/c1-4-19-37(20-5-1)52-60-55(62-56(61-52)45-34-32-36-18-10-14-28-44(36)58-45)43-27-13-17-31-48(43)65-46-29-15-11-25-40(46)41-33-35-49-50(51(41)65)42-26-12-16-30-47(42)66(49)57-63-53(38-21-6-2-7-22-38)59-54(64-57)39-23-8-3-9-24-39/h1-35H
InChIKeyBQVLSOGWJZBRQR-UHFFFAOYSA-N
XLogP13.13
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.97
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
5,12-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
9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-phenyl-6-(4-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 169036954
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc4ccccc4n3)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-phenyl-6-quinolin-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole?
The InChIKey is BQVLSOGWJZBRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N9/c1-4-19-37(20-5-1)52-60-55(62-56(61-52)45-34-32-36-18-10-14-28-44(36)58-45)43-27-13-17-31-48(43)65-46-29-15-11-25-40(46)41-33-35-49-50(51(41)65)42-26-12-16-30-47(42)66(49)57-63-53(38-21-6-2-7-22-38)59-54(64-57)39-23-8-3-9-24-39/h1-35H.
What are the key properties of 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?
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 has a molecular weight of 845.97 g/mol, XLogP of 13.13, 7 rotatable bonds, 0 hydrogen bond donors, and 9 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-phenyl-6-quinolin-2-yl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 169037291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).