3-[3,5-bis(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole

C48H31N7 — CID 129285653

IUPAC3-[3,5-bis(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc3nc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5nc6ccc(-c7ccccc7)cn6n5)c4)nn3c2)cc1
InChIInChI=1S/C48H31N7/c1-4-12-32(13-5-1)35-21-24-45-49-47(51-53(45)30-35)38-26-37(27-39(28-38)48-50-46-25-22-36(31-54(46)52-48)33-14-6-2-7-15-33)34-20-23-44-42(29-34)41-18-10-11-19-43(41)55(44)40-16-8-3-9-17-40/h1-31H
InChIKeyPDOVXBLRXISIPA-UHFFFAOYSA-N
MW705.83 g/mol
LogP11.20
Rot. Bonds6

About 3-[3,5-bis(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole

3-[3,5-bis(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 129285653) has the molecular formula C48H31N7 and a molecular weight of 705.83 g/mol. Its IUPAC name is 3-[3,5-bis(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3,5-bis(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole
PubChem CID129285653
Molecular FormulaC48H31N7
Molecular Weight705.83 g/mol
Exact Mass705.26
IUPAC Name3-[3,5-bis(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc3nc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5nc6ccc(-c7ccccc7)cn6n5)c4)nn3c2)cc1
InChIInChI=1S/C48H31N7/c1-4-12-32(13-5-1)35-21-24-45-49-47(51-53(45)30-35)38-26-37(27-39(28-38)48-50-46-25-22-36(31-54(46)52-48)33-14-6-2-7-15-33)34-20-23-44-42(29-34)41-18-10-11-19-43(41)55(44)40-16-8-3-9-17-40/h1-31H
InChIKeyPDOVXBLRXISIPA-UHFFFAOYSA-N
XLogP11.20
TPSA65.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.83
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3,5-bis([1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole
CID 129294336
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134237073
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
3-[4-[6-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 58527032
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3,5-bis(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole (CID 129285653) is 3-[3,5-bis(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3,5-bis(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3,5-bis(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole is c1ccc(-c2ccc3nc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5nc6ccc(-c7ccccc7)cn6n5)c4)nn3c2)cc1.
What is the InChIKey of 3-[3,5-bis(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole?
The InChIKey is PDOVXBLRXISIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N7/c1-4-12-32(13-5-1)35-21-24-45-49-47(51-53(45)30-35)38-26-37(27-39(28-38)48-50-46-25-22-36(31-54(46)52-48)33-14-6-2-7-15-33)34-20-23-44-42(29-34)41-18-10-11-19-43(41)55(44)40-16-8-3-9-17-40/h1-31H.
What are the key properties of 3-[3,5-bis(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole?
3-[3,5-bis(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 705.83 g/mol, XLogP of 11.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(6-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 129285653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).