3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

C58H36N6 — CID 146544144

IUPAC3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2c(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)cncc2-n2c3ccccc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1
InChIInChI=1S/C58H36N6/c59-33-38-12-11-17-43(30-38)58-56(63-52-20-9-7-18-46(52)48-31-41(24-28-54(48)63)44-22-26-50(61-34-44)39-13-3-1-4-14-39)36-60-37-57(58)64-53-21-10-8-19-47(53)49-32-42(25-29-55(49)64)45-23-27-51(62-35-45)40-15-5-2-6-16-40/h1-32,34-37H
InChIKeyLRNWDQFHCSLYNQ-UHFFFAOYSA-N
MW816.97 g/mol
LogP14.27
Rot. Bonds7

About 3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146544144) has the molecular formula C58H36N6 and a molecular weight of 816.97 g/mol. Its IUPAC name is 3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146544144
Molecular FormulaC58H36N6
Molecular Weight816.97 g/mol
Exact Mass816.30
IUPAC Name3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2c(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)cncc2-n2c3ccccc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1
InChIInChI=1S/C58H36N6/c59-33-38-12-11-17-43(30-38)58-56(63-52-20-9-7-18-46(52)48-31-41(24-28-54(48)63)44-22-26-50(61-34-44)39-13-3-1-4-14-39)36-60-37-57(58)64-53-21-10-8-19-47(53)49-32-42(25-29-55(49)64)45-23-27-51(62-35-45)40-15-5-2-6-16-40/h1-32,34-37H
InChIKeyLRNWDQFHCSLYNQ-UHFFFAOYSA-N
XLogP14.27
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.97
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 158607283
3-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544351
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546484
4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544354
3-[3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 161042465
3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544391
4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544365
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759136
2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142465932
4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377806
4-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[3,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 159435033
3-[3-[2-(4-cyanophenyl)carbazol-9-yl]-5-[2-(4-isocyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 153486386

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146544144) is 3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is N#Cc1cccc(-c2c(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)cncc2-n2c3ccccc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1.
What is the InChIKey of 3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is LRNWDQFHCSLYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6/c59-33-38-12-11-17-43(30-38)58-56(63-52-20-9-7-18-46(52)48-31-41(24-28-54(48)63)44-22-26-50(61-34-44)39-13-3-1-4-14-39)36-60-37-57(58)64-53-21-10-8-19-47(53)49-32-42(25-29-55(49)64)45-23-27-51(62-35-45)40-15-5-2-6-16-40/h1-32,34-37H.
What are the key properties of 3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile has a molecular weight of 816.97 g/mol, XLogP of 14.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146544144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).