9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole

C47H31N3 — CID 59372061

IUPAC9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole
SMILESc1cc(-c2ccc(-c3cncc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C47H31N3/c1-5-16-44-40(12-1)41-13-2-6-17-45(41)49(44)38-26-24-34(25-27-38)37-28-36(30-48-31-37)33-22-20-32(21-23-33)35-10-9-11-39(29-35)50-46-18-7-3-14-42(46)43-15-4-8-19-47(43)50/h1-31H
InChIKeyLLRRERZKBOLNBA-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.28
Rot. Bonds5

About 9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole

9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole (PubChem CID 59372061) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole
PubChem CID59372061
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole
SMILESc1cc(-c2ccc(-c3cncc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C47H31N3/c1-5-16-44-40(12-1)41-13-2-6-17-45(41)49(44)38-26-24-34(25-27-38)37-28-36(30-48-31-37)33-22-20-32(21-23-33)35-10-9-11-39(29-35)50-46-18-7-3-14-42(46)43-15-4-8-19-47(43)50/h1-31H
InChIKeyLLRRERZKBOLNBA-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-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole
CID 122622889
9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 159084333
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590474
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 160802199
9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-3-pyridinyl]carbazole
CID 141339083
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590628
3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590783
9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 89433885
2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165058453
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 161148569

Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole (CID 59372061) is 9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole is c1cc(-c2ccc(-c3cncc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole?
The InChIKey is LLRRERZKBOLNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-5-16-44-40(12-1)41-13-2-6-17-45(41)49(44)38-26-24-34(25-27-38)37-28-36(30-48-31-37)33-22-20-32(21-23-33)35-10-9-11-39(29-35)50-46-18-7-3-14-42(46)43-15-4-8-19-47(43)50/h1-31H.
What are the key properties of 9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole?
9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-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-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 59372061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).