3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile

C40H24N4 — CID 121307202

IUPAC3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile
SMILES[H]/N=C/c1cc(C#N)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C40H24N4/c41-23-25-21-28(24-42)40(44-34-16-8-6-14-32(34)39-30-12-4-2-10-27(30)18-20-36(39)44)37(22-25)43-33-15-7-5-13-31(33)38-29-11-3-1-9-26(29)17-19-35(38)43/h1-22,24,42H/b42-24+
InChIKeyQRYTZDUARGLYBW-HAPYPFFUSA-N
MW560.66 g/mol
LogP10.06
Rot. Bonds3

About 3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile

3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile (PubChem CID 121307202) has the molecular formula C40H24N4 and a molecular weight of 560.66 g/mol. Its IUPAC name is 3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile.

Molecular Properties

Compound Name3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile
PubChem CID121307202
Molecular FormulaC40H24N4
Molecular Weight560.66 g/mol
Exact Mass560.20
IUPAC Name3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile
SMILES[H]/N=C/c1cc(C#N)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C40H24N4/c41-23-25-21-28(24-42)40(44-34-16-8-6-14-32(34)39-30-12-4-2-10-27(30)18-20-36(39)44)37(22-25)43-33-15-7-5-13-31(33)38-29-11-3-1-9-26(29)17-19-35(38)43/h1-22,24,42H/b42-24+
InChIKeyQRYTZDUARGLYBW-HAPYPFFUSA-N
XLogP10.06
TPSA57.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.66
LogP ≤ 510.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-carbazol-9-yl-3-methanimidoyl-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile
CID 121307462
[5-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-3-methanimidoylphenyl]methanimine
CID 121307476
7-[3,5-dimethanimidoyl-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]phenyl]-N,N-diphenylbenzo[c]carbazol-10-amine
CID 121307247
5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 144765572
3,5-bis(10-dibenzofuran-3-ylbenzo[c]carbazol-7-yl)-4-methanimidoylbenzonitrile
CID 121307218
[2-carbazol-9-yl-4-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-methanimidoylphenyl]methanimine
CID 121307478
2,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)benzene-1,4-dicarbonitrile
CID 121328609
5-carbazol-9-yl-4-methanimidoyl-2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile
CID 121307162
2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
CID 121328874
[5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-methanimidoylphenyl]methanimine
CID 121307314
4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 163573400
3,5-bis(benzo[c]carbazol-7-yl)-2,4,6-tris(4-cyanophenyl)benzonitrile
CID 118051776

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile?
The IUPAC name of 3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile (CID 121307202) is 3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile.
What is the SMILES notation for 3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile?
The canonical SMILES for 3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile is [H]/N=C/c1cc(C#N)cc(-n2c3ccccc3c3c4ccccc4ccc32)c1-n1c2ccccc2c2c3ccccc3ccc21.
What is the InChIKey of 3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile?
The InChIKey is QRYTZDUARGLYBW-HAPYPFFUSA-N. The full InChI is InChI=1S/C40H24N4/c41-23-25-21-28(24-42)40(44-34-16-8-6-14-32(34)39-30-12-4-2-10-27(30)18-20-36(39)44)37(22-25)43-33-15-7-5-13-31(33)38-29-11-3-1-9-26(29)17-19-35(38)43/h1-22,24,42H/b42-24+.
What are the key properties of 3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile?
3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile has a molecular weight of 560.66 g/mol, XLogP of 10.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(benzo[c]carbazol-7-yl)-5-methanimidoylbenzonitrile is sourced from PubChem (CID 121307202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).