9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole

C39H24ClN5 — CID 178064886

IUPAC9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole
SMILESClc1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3cccc(-c4ccccc4-c4ccccc4)c32)n1
InChIInChI=1S/C39H24ClN5/c40-37-41-38(44-33-22-9-6-17-28(33)29-18-7-10-23-34(29)44)43-39(42-37)45-35-24-11-8-19-30(35)32-21-12-20-31(36(32)45)27-16-5-4-15-26(27)25-13-2-1-3-14-25/h1-24H
InChIKeyFWPLDDREROOMEI-UHFFFAOYSA-N
MW598.11 g/mol
LogP10.05
Rot. Bonds4

About 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole

9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole (PubChem CID 178064886) has the molecular formula C39H24ClN5 and a molecular weight of 598.11 g/mol. Its IUPAC name is 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole
PubChem CID178064886
Molecular FormulaC39H24ClN5
Molecular Weight598.11 g/mol
Exact Mass597.17
IUPAC Name9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole
SMILESClc1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3cccc(-c4ccccc4-c4ccccc4)c32)n1
InChIInChI=1S/C39H24ClN5/c40-37-41-38(44-33-22-9-6-17-28(33)29-18-7-10-23-34(29)44)43-39(42-37)45-35-24-11-8-19-30(35)32-21-12-20-31(36(32)45)27-16-5-4-15-26(27)25-13-2-1-3-14-25/h1-24H
InChIKeyFWPLDDREROOMEI-UHFFFAOYSA-N
XLogP10.05
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.11
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-carbazol-9-yl-6-[3-[2-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742511
1-phenyl-9-[4-phenyl-6-[3-[2-[3-[3-[4-phenyl-6-[1-(4-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 137397297
9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742695
3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 176879941
9-[4-carbazol-9-yl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742616
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole
CID 89296040
9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole
CID 138461033
9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742588
9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742610
12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 175627106
9-phenyl-1-[2-(3-phenylphenyl)phenyl]carbazole
CID 175012916
9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole
CID 163980013

Frequently Asked Questions

What is the IUPAC name of 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole?
The IUPAC name of 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole (CID 178064886) is 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole.
What is the SMILES notation for 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole?
The canonical SMILES for 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole is Clc1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3cccc(-c4ccccc4-c4ccccc4)c32)n1.
What is the InChIKey of 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole?
The InChIKey is FWPLDDREROOMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24ClN5/c40-37-41-38(44-33-22-9-6-17-28(33)29-18-7-10-23-34(29)44)43-39(42-37)45-35-24-11-8-19-30(35)32-21-12-20-31(36(32)45)27-16-5-4-15-26(27)25-13-2-1-3-14-25/h1-24H.
What are the key properties of 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole?
9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole has a molecular weight of 598.11 g/mol, XLogP of 10.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole is sourced from PubChem (CID 178064886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).