9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile

C47H26N4 — CID 167336223

IUPAC9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2C#N)c1
InChIInChI=1S/C47H26N4/c48-27-30-17-21-44-42(23-30)43-24-31(28-49)18-22-45(43)51(44)36-12-8-11-33(25-36)41-26-34(19-20-35(41)29-50)47-39-15-6-4-13-37(39)46(32-9-2-1-3-10-32)38-14-5-7-16-40(38)47/h1-26H
InChIKeyBEHOQUQRFCYKNO-UHFFFAOYSA-N
MW646.75 g/mol
LogP11.71
Rot. Bonds4

About 9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile

9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile (PubChem CID 167336223) has the molecular formula C47H26N4 and a molecular weight of 646.75 g/mol. Its IUPAC name is 9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
PubChem CID167336223
Molecular FormulaC47H26N4
Molecular Weight646.75 g/mol
Exact Mass646.22
IUPAC Name9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2C#N)c1
InChIInChI=1S/C47H26N4/c48-27-30-17-21-44-42(23-30)43-24-31(28-49)18-22-45(43)51(44)36-12-8-11-33(25-36)41-26-34(19-20-35(41)29-50)47-39-15-6-4-13-37(39)46(32-9-2-1-3-10-32)38-14-5-7-16-40(38)47/h1-26H
InChIKeyBEHOQUQRFCYKNO-UHFFFAOYSA-N
XLogP11.71
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.75
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155079827
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958752
4-[2-(3-carbazol-9-ylphenyl)phenyl]-3-(10-phenylanthracen-9-yl)benzonitrile
CID 167336438
9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081162
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080273
2-(2-carbazol-9-ylphenyl)-3-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,4-dicarbonitrile
CID 155080920
9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336187
9-[5-cyano-2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336467
9-[2-[3-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081345
3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile
CID 167336584
9-[4-[5-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079728
3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 155081614

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile (CID 167336223) is 9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2C#N)c1.
What is the InChIKey of 9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile?
The InChIKey is BEHOQUQRFCYKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H26N4/c48-27-30-17-21-44-42(23-30)43-24-31(28-49)18-22-45(43)51(44)36-12-8-11-33(25-36)41-26-34(19-20-35(41)29-50)47-39-15-6-4-13-37(39)46(32-9-2-1-3-10-32)38-14-5-7-16-40(38)47/h1-26H.
What are the key properties of 9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile?
9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 646.75 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 167336223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).