2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile

C51H31N5 — CID 121337865

IUPAC2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)ccc32)nc2cc(-c3ccncc3)ccc12
InChIInChI=1S/C51H31N5/c52-32-39-31-51(54-46-30-38(17-20-41(39)46)34-23-25-53-26-24-34)56-48-16-7-5-14-43(48)45-29-37(19-22-50(45)56)36-18-21-49-44(28-36)42-13-4-6-15-47(42)55(49)40-12-8-11-35(27-40)33-9-2-1-3-10-33/h1-31H
InChIKeyBWRQJMRGMRCDQG-UHFFFAOYSA-N
MW713.84 g/mol
LogP12.70
Rot. Bonds5

About 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile

2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile (PubChem CID 121337865) has the molecular formula C51H31N5 and a molecular weight of 713.84 g/mol. Its IUPAC name is 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile
PubChem CID121337865
Molecular FormulaC51H31N5
Molecular Weight713.84 g/mol
Exact Mass713.26
IUPAC Name2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)ccc32)nc2cc(-c3ccncc3)ccc12
InChIInChI=1S/C51H31N5/c52-32-39-31-51(54-46-30-38(17-20-41(39)46)34-23-25-53-26-24-34)56-48-16-7-5-14-43(48)45-29-37(19-22-50(45)56)36-18-21-49-44(28-36)42-13-4-6-15-47(42)55(49)40-12-8-11-35(27-40)33-9-2-1-3-10-33/h1-31H
InChIKeyBWRQJMRGMRCDQG-UHFFFAOYSA-N
XLogP12.70
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.84
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile;7-phenyl-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinoline-4-carbonitrile
CID 162050395
3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118699027
2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinazoline-4-carbonitrile;2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]quinoline-4-carbonitrile
CID 159941374
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 90336623
9-(3-phenylphenyl)-6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]pyrido[3,4-b]indole
CID 146187368
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole;3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-3-yl)-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole;2-[9-(3-phenylphenyl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole;2-[9-(4-phenylphenyl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole;3-[9-(3-phenylphenyl)carbazol-2-yl]-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole
CID 157181475
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-phenylcarbazole;2-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;2-(9-phenylcarbazol-3-yl)-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole;3-[9-(3-phenylphenyl)carbazol-2-yl]-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole
CID 161065630
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-4-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 144537302
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912
3-[4-(3-carbazol-9-ylphenyl)phenyl]pyridine-4-carbonitrile
CID 146543439
9-[3-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 130465926
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole
CID 160825016

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile?
The IUPAC name of 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile (CID 121337865) is 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile.
What is the SMILES notation for 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile?
The canonical SMILES for 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile is N#Cc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)ccc32)nc2cc(-c3ccncc3)ccc12.
What is the InChIKey of 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile?
The InChIKey is BWRQJMRGMRCDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5/c52-32-39-31-51(54-46-30-38(17-20-41(39)46)34-23-25-53-26-24-34)56-48-16-7-5-14-43(48)45-29-37(19-22-50(45)56)36-18-21-49-44(28-36)42-13-4-6-15-47(42)55(49)40-12-8-11-35(27-40)33-9-2-1-3-10-33/h1-31H.
What are the key properties of 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile?
2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile has a molecular weight of 713.84 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile is sourced from PubChem (CID 121337865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).