9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile

C46H27N3 — CID 167336187

IUPAC9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C46H27N3/c47-28-30-18-23-44-42(26-30)37-12-8-9-17-43(37)49(44)36-25-31(29-48)24-35(27-36)32-19-21-34(22-20-32)46-40-15-6-4-13-38(40)45(33-10-2-1-3-11-33)39-14-5-7-16-41(39)46/h1-27H
InChIKeyAFRMWMICSIPIOL-UHFFFAOYSA-N
MW621.74 g/mol
LogP11.83
Rot. Bonds4

About 9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile

9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 167336187) has the molecular formula C46H27N3 and a molecular weight of 621.74 g/mol. Its IUPAC name is 9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
PubChem CID167336187
Molecular FormulaC46H27N3
Molecular Weight621.74 g/mol
Exact Mass621.22
IUPAC Name9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C46H27N3/c47-28-30-18-23-44-42(26-30)37-12-8-9-17-43(37)49(44)36-25-31(29-48)24-35(27-36)32-19-21-34(22-20-32)46-40-15-6-4-13-38(40)45(33-10-2-1-3-11-33)39-14-5-7-16-41(39)46/h1-27H
InChIKeyAFRMWMICSIPIOL-UHFFFAOYSA-N
XLogP11.83
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.74
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[3-cyano-5-(3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile
CID 126761640
9-[3-[3-(3-cyanophenyl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126610493
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 146939087
3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 147853165
9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 118650216
9-[3-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 154959007
9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile
CID 154959004
9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958994
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
3-[3-(10-phenylanthracen-9-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylbenzonitrile
CID 167336690
9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 147714772

Frequently Asked Questions

What is the IUPAC name of 9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile (CID 167336187) is 9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile is N#Cc1cc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1.
What is the InChIKey of 9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?
The InChIKey is AFRMWMICSIPIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3/c47-28-30-18-23-44-42(26-30)37-12-8-9-17-43(37)49(44)36-25-31(29-48)24-35(27-36)32-19-21-34(22-20-32)46-40-15-6-4-13-38(40)45(33-10-2-1-3-11-33)39-14-5-7-16-41(39)46/h1-27H.
What are the key properties of 9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?
9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 621.74 g/mol, XLogP of 11.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 167336187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).