5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-chlorobenzo[b]carbazole

C43H27ClN4 — CID 139570098

IUPAC5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-chlorobenzo[b]carbazole
SMILESClc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C43H27ClN4/c44-36-22-21-32-27-40-38(26-35(32)25-36)37-19-7-8-20-39(37)48(40)43-46-41(33-17-9-15-30(23-33)28-11-3-1-4-12-28)45-42(47-43)34-18-10-16-31(24-34)29-13-5-2-6-14-29/h1-27H
InChIKeyPDFPQKUIMNITRW-UHFFFAOYSA-N
MW635.17 g/mol
LogP11.44
Rot. Bonds5

About 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-chlorobenzo[b]carbazole

5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-chlorobenzo[b]carbazole (PubChem CID 139570098) has the molecular formula C43H27ClN4 and a molecular weight of 635.17 g/mol. Its IUPAC name is 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-chlorobenzo[b]carbazole.

Molecular Properties

Compound Name5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-chlorobenzo[b]carbazole
PubChem CID139570098
Molecular FormulaC43H27ClN4
Molecular Weight635.17 g/mol
Exact Mass634.19
IUPAC Name5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-chlorobenzo[b]carbazole
SMILESClc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C43H27ClN4/c44-36-22-21-32-27-40-38(26-35(32)25-36)37-19-7-8-20-39(37)48(40)43-46-41(33-17-9-15-30(23-33)28-11-3-1-4-12-28)45-42(47-43)34-18-10-16-31(24-34)29-13-5-2-6-14-29/h1-27H
InChIKeyPDFPQKUIMNITRW-UHFFFAOYSA-N
XLogP11.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.17
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 176831267
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
9-[4-(4-chlorophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155445890
9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742634
9-[4-carbazol-9-yl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742616
9-[4-carbazol-9-yl-6-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742666
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 165079921
9-[4-(3,5-diphenylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3,5-diphenylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 160984950
9-[4-carbazol-9-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742506
7-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 164800029
7-(4-phenylphenyl)-5-[4-phenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 156556458
3-carbazol-9-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170132851

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-chlorobenzo[b]carbazole?
The IUPAC name of 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-chlorobenzo[b]carbazole (CID 139570098) is 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-chlorobenzo[b]carbazole.
What is the SMILES notation for 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-chlorobenzo[b]carbazole?
The canonical SMILES for 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-chlorobenzo[b]carbazole is Clc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1.
What is the InChIKey of 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-chlorobenzo[b]carbazole?
The InChIKey is PDFPQKUIMNITRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27ClN4/c44-36-22-21-32-27-40-38(26-35(32)25-36)37-19-7-8-20-39(37)48(40)43-46-41(33-17-9-15-30(23-33)28-11-3-1-4-12-28)45-42(47-43)34-18-10-16-31(24-34)29-13-5-2-6-14-29/h1-27H.
What are the key properties of 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-chlorobenzo[b]carbazole?
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-chlorobenzo[b]carbazole has a molecular weight of 635.17 g/mol, XLogP of 11.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-chlorobenzo[b]carbazole is sourced from PubChem (CID 139570098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).