9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole

C47H31N3 — CID 155771450

IUPAC9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccn2)c1
InChIInChI=1S/C47H31N3/c1-5-22-44-39(18-1)40-19-2-6-23-45(40)49(44)37-16-10-13-33(29-37)32-12-9-15-36(28-32)43-31-35(26-27-48-43)34-14-11-17-38(30-34)50-46-24-7-3-20-41(46)42-21-4-8-25-47(42)50/h1-31H
InChIKeyUCRHOQSRQPZVEJ-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.28
Rot. Bonds5

About 9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole

9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole (PubChem CID 155771450) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole
PubChem CID155771450
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccn2)c1
InChIInChI=1S/C47H31N3/c1-5-22-44-39(18-1)40-19-2-6-23-45(40)49(44)37-16-10-13-33(29-37)32-12-9-15-36(28-32)43-31-35(26-27-48-43)34-14-11-17-38(30-34)50-46-24-7-3-20-41(46)42-21-4-8-25-47(42)50/h1-31H
InChIKeyUCRHOQSRQPZVEJ-UHFFFAOYSA-N
XLogP12.28
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]phenyl]carbazole
CID 122627429
2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 102416966
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane
CID 144541414
2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 134252122
4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]indole
CID 140818723
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
5-(4-phenyl-2-pyridinyl)-7-(3-pyridin-2-ylphenyl)benzo[c]carbazole
CID 159887886
9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole
CID 122622889
9-[3-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58273653

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole (CID 155771450) is 9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole is c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccn2)c1.
What is the InChIKey of 9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole?
The InChIKey is UCRHOQSRQPZVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-5-22-44-39(18-1)40-19-2-6-23-45(40)49(44)37-16-10-13-33(29-37)32-12-9-15-36(28-32)43-31-35(26-27-48-43)34-14-11-17-38(30-34)50-46-24-7-3-20-41(46)42-21-4-8-25-47(42)50/h1-31H.
What are the key properties of 9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole?
9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole has a molecular weight of 637.79 g/mol, XLogP of 12.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 155771450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).