9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole

C42H27N7 — CID 121241279

IUPAC9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole
SMILESc1cncc(-c2nnn(-c3cccnc3)c2-c2cccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c23)c1
InChIInChI=1S/C42H27N7/c1-4-20-37-32(15-1)33-16-2-5-21-38(33)47(37)29-12-7-13-30(25-29)48-39-22-6-3-17-34(39)35-18-8-19-36(41(35)48)42-40(28-11-9-23-43-26-28)45-46-49(42)31-14-10-24-44-27-31/h1-27H
InChIKeyYNRVEFCYXJKBMP-UHFFFAOYSA-N
MW629.73 g/mol
LogP9.59
Rot. Bonds5

About 9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole

9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole (PubChem CID 121241279) has the molecular formula C42H27N7 and a molecular weight of 629.73 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole.

Molecular Properties

Compound Name9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole
PubChem CID121241279
Molecular FormulaC42H27N7
Molecular Weight629.73 g/mol
Exact Mass629.23
IUPAC Name9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole
SMILESc1cncc(-c2nnn(-c3cccnc3)c2-c2cccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c23)c1
InChIInChI=1S/C42H27N7/c1-4-20-37-32(15-1)33-16-2-5-21-38(33)47(37)29-12-7-13-30(25-29)48-39-22-6-3-17-34(39)35-18-8-19-36(41(35)48)42-40(28-11-9-23-43-26-28)45-46-49(42)31-14-10-24-44-27-31/h1-27H
InChIKeyYNRVEFCYXJKBMP-UHFFFAOYSA-N
XLogP9.59
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.73
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-(3-carbazol-9-ylphenyl)-1-(1,5-dipyridin-3-yltriazol-4-yl)carbazole;9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole;9-(3-carbazol-9-ylphenyl)-1-(4,5-dipyridin-3-yltriazol-1-yl)carbazole;9-(3-carbazol-9-ylphenyl)-1-(4,5-dipyridin-3-yl-1,2,4-triazol-3-yl)carbazole
CID 159166576
9-(3-carbazol-9-ylphenyl)-4-(3,5-diphenyltriazol-4-yl)carbazole
CID 121241302
9-(3-carbazol-9-ylphenyl)-4-(1,5-diphenyltriazol-4-yl)carbazole
CID 121241303
9-(3-carbazol-9-ylphenyl)-2-(3,5-diphenyltriazol-4-yl)carbazole;9-(3-carbazol-9-ylphenyl)-2-(1,5-dipyridin-3-yl-1,2,4-triazol-3-yl)carbazole;9-(3-carbazol-9-ylphenyl)-2-(2,5-dipyridin-3-yl-1,2,4-triazol-3-yl)carbazole;9-(3-carbazol-9-ylphenyl)-2-(3,5-dipyridin-3-yl-1,2,4-triazol-1-yl)carbazole;methane
CID 158448768
12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 153445986
9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yl-1,2,4-triazol-1-yl)carbazole
CID 121241250
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-thiadiazole
CID 122593887
5-[3-(4-phenylphenyl)phenyl]-11-pyridin-3-ylindolo[3,2-b]carbazole
CID 140944253
9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221469
11-(4-phenylphenyl)-12-pyridin-3-ylindolo[2,3-a]carbazole
CID 126731374
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877

Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole?
The IUPAC name of 9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole (CID 121241279) is 9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole.
What is the SMILES notation for 9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole?
The canonical SMILES for 9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole is c1cncc(-c2nnn(-c3cccnc3)c2-c2cccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c23)c1.
What is the InChIKey of 9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole?
The InChIKey is YNRVEFCYXJKBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N7/c1-4-20-37-32(15-1)33-16-2-5-21-38(33)47(37)29-12-7-13-30(25-29)48-39-22-6-3-17-34(39)35-18-8-19-36(41(35)48)42-40(28-11-9-23-43-26-28)45-46-49(42)31-14-10-24-44-27-31/h1-27H.
What are the key properties of 9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole?
9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole has a molecular weight of 629.73 g/mol, XLogP of 9.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yltriazol-4-yl)carbazole is sourced from PubChem (CID 121241279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).