9-[5-[5-(6-carbazol-9-yl-3-pyridinyl)-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole

C48H31N7 — CID 58500956

IUPAC9-[5-[5-(6-carbazol-9-yl-3-pyridinyl)-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole
SMILESc1ccc(-c2cccc(-n3c(-c4ccc(-n5c6ccccc6c6ccccc65)nc4)nnc3-c3ccc(-n4c5ccccc5c5ccccc54)nc3)c2)cc1
InChIInChI=1S/C48H31N7/c1-2-13-32(14-3-1)33-15-12-16-36(29-33)53-47(34-25-27-45(49-30-34)54-41-21-8-4-17-37(41)38-18-5-9-22-42(38)54)51-52-48(53)35-26-28-46(50-31-35)55-43-23-10-6-19-39(43)40-20-7-11-24-44(40)55/h1-31H
InChIKeyGWYSBACTDQFRNB-UHFFFAOYSA-N
MW705.83 g/mol
LogP11.25
Rot. Bonds6

About 9-[5-[5-(6-carbazol-9-yl-3-pyridinyl)-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole

9-[5-[5-(6-carbazol-9-yl-3-pyridinyl)-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole (PubChem CID 58500956) has the molecular formula C48H31N7 and a molecular weight of 705.83 g/mol. Its IUPAC name is 9-[5-[5-(6-carbazol-9-yl-3-pyridinyl)-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[5-[5-(6-carbazol-9-yl-3-pyridinyl)-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole
PubChem CID58500956
Molecular FormulaC48H31N7
Molecular Weight705.83 g/mol
Exact Mass705.26
IUPAC Name9-[5-[5-(6-carbazol-9-yl-3-pyridinyl)-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole
SMILESc1ccc(-c2cccc(-n3c(-c4ccc(-n5c6ccccc6c6ccccc65)nc4)nnc3-c3ccc(-n4c5ccccc5c5ccccc54)nc3)c2)cc1
InChIInChI=1S/C48H31N7/c1-2-13-32(14-3-1)33-15-12-16-36(29-33)53-47(34-25-27-45(49-30-34)54-41-21-8-4-17-37(41)38-18-5-9-22-42(38)54)51-52-48(53)35-26-28-46(50-31-35)55-43-23-10-6-19-39(43)40-20-7-11-24-44(40)55/h1-31H
InChIKeyGWYSBACTDQFRNB-UHFFFAOYSA-N
XLogP11.25
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.83
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-(5-phenyl-2-pyridinyl)carbazole
CID 118581881
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
11-isoquinolin-3-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 140944165
9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160861876
9-(3-phenylphenyl)-3-[4-phenyl-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,2,4-triazol-3-yl]carbazole
CID 122594044
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
11-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
CID 118487928
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 158725620
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
9-[3-(7-phenyltriphenylen-2-yl)phenyl]carbazole
CID 174278174

Frequently Asked Questions

What is the IUPAC name of 9-[5-[5-(6-carbazol-9-yl-3-pyridinyl)-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole?
The IUPAC name of 9-[5-[5-(6-carbazol-9-yl-3-pyridinyl)-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole (CID 58500956) is 9-[5-[5-(6-carbazol-9-yl-3-pyridinyl)-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole.
What is the SMILES notation for 9-[5-[5-(6-carbazol-9-yl-3-pyridinyl)-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole?
The canonical SMILES for 9-[5-[5-(6-carbazol-9-yl-3-pyridinyl)-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole is c1ccc(-c2cccc(-n3c(-c4ccc(-n5c6ccccc6c6ccccc65)nc4)nnc3-c3ccc(-n4c5ccccc5c5ccccc54)nc3)c2)cc1.
What is the InChIKey of 9-[5-[5-(6-carbazol-9-yl-3-pyridinyl)-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole?
The InChIKey is GWYSBACTDQFRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N7/c1-2-13-32(14-3-1)33-15-12-16-36(29-33)53-47(34-25-27-45(49-30-34)54-41-21-8-4-17-37(41)38-18-5-9-22-42(38)54)51-52-48(53)35-26-28-46(50-31-35)55-43-23-10-6-19-39(43)40-20-7-11-24-44(40)55/h1-31H.
What are the key properties of 9-[5-[5-(6-carbazol-9-yl-3-pyridinyl)-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole?
9-[5-[5-(6-carbazol-9-yl-3-pyridinyl)-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole has a molecular weight of 705.83 g/mol, XLogP of 11.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[5-(6-carbazol-9-yl-3-pyridinyl)-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole is sourced from PubChem (CID 58500956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).