2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole

C94H63ClN10 — CID 159800613

IUPAC2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole
SMILESClc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.c1ccc(-c2cc3c4[nH]c5ccccc5c4ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(cc(-c7ccccc7)n6-c6ccccc6)c54)c3)n2)cc1
InChIInChI=1S/C47H31N5.C26H18N2.C21H14ClN3/c1-5-16-32(17-6-1)43-31-40-42(51(43)36-23-11-4-12-24-36)29-28-39-38-26-13-14-27-41(38)52(44(39)40)37-25-15-22-35(30-37)47-49-45(33-18-7-2-8-19-33)48-46(50-47)34-20-9-3-10-21-34;1-3-9-18(10-4-1)25-17-22-24(28(25)19-11-5-2-6-12-19)16-15-21-20-13-7-8-14-23(20)27-26(21)22;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-31H;1-17,27H;1-14H
InChIKeyNJSVAMYMHZBDSW-UHFFFAOYSA-N
MW1368.06 g/mol
LogP24.04
Rot. Bonds11

About 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole

2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole (PubChem CID 159800613) has the molecular formula C94H63ClN10 and a molecular weight of 1368.06 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole
PubChem CID159800613
Molecular FormulaC94H63ClN10
Molecular Weight1368.06 g/mol
Exact Mass1366.49
IUPAC Name2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole
SMILESClc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.c1ccc(-c2cc3c4[nH]c5ccccc5c4ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(cc(-c7ccccc7)n6-c6ccccc6)c54)c3)n2)cc1
InChIInChI=1S/C47H31N5.C26H18N2.C21H14ClN3/c1-5-16-32(17-6-1)43-31-40-42(51(43)36-23-11-4-12-24-36)29-28-39-38-26-13-14-27-41(38)52(44(39)40)37-25-15-22-35(30-37)47-49-45(33-18-7-2-8-19-33)48-46(50-47)34-20-9-3-10-21-34;1-3-9-18(10-4-1)25-17-22-24(28(25)19-11-5-2-6-12-19)16-15-21-20-13-7-8-14-23(20)27-26(21)22;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-31H;1-17,27H;1-14H
InChIKeyNJSVAMYMHZBDSW-UHFFFAOYSA-N
XLogP24.04
TPSA107.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001368.06
LogP ≤ 524.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole with MolForge

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Related Compounds

11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
CID 159032600
CID 159032600
3-[4-[4-(3-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;3-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 167546281
10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 118315588
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 161432881
11-(4-phenylphenyl)-12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 162362852
12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 170268449
5-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 169014315
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169014428
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139496723
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenylpyrrolo[3,2-a]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10H-pyrrolo[3,2-a]carbazole;iodobenzene
CID 161173908
1-(9-phenylcarbazol-1-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305816

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole?
The IUPAC name of 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole (CID 159800613) is 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole.
What is the SMILES notation for 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole?
The canonical SMILES for 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole is Clc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.c1ccc(-c2cc3c4[nH]c5ccccc5c4ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(cc(-c7ccccc7)n6-c6ccccc6)c54)c3)n2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole?
The InChIKey is NJSVAMYMHZBDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5.C26H18N2.C21H14ClN3/c1-5-16-32(17-6-1)43-31-40-42(51(43)36-23-11-4-12-24-36)29-28-39-38-26-13-14-27-41(38)52(44(39)40)37-25-15-22-35(30-37)47-49-45(33-18-7-2-8-19-33)48-46(50-47)34-20-9-3-10-21-34;1-3-9-18(10-4-1)25-17-22-24(28(25)19-11-5-2-6-12-19)16-15-21-20-13-7-8-14-23(20)27-26(21)22;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-31H;1-17,27H;1-14H.
What are the key properties of 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole?
2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole has a molecular weight of 1368.06 g/mol, XLogP of 24.04, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole is sourced from PubChem (CID 159800613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).