3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile

C38H29N3 — CID 146339497

IUPAC3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile
SMILESC/C=C\c1c(CC)c2ccccc2n1-c1ccc(-c2cc(C#N)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C38H29N3/c1-3-11-35-31(4-2)32-12-5-8-15-36(32)40(35)29-20-18-27(19-21-29)28-22-26(25-39)23-30(24-28)41-37-16-9-6-13-33(37)34-14-7-10-17-38(34)41/h3,5-24H,4H2,1-2H3/b11-3-
InChIKeyVAHDVXZZYYJGET-JYOAFUTRSA-N
MW527.67 g/mol
LogP9.86
Rot. Bonds5

About 3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile

3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile (PubChem CID 146339497) has the molecular formula C38H29N3 and a molecular weight of 527.67 g/mol. Its IUPAC name is 3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile
PubChem CID146339497
Molecular FormulaC38H29N3
Molecular Weight527.67 g/mol
Exact Mass527.24
IUPAC Name3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile
SMILESC/C=C\c1c(CC)c2ccccc2n1-c1ccc(-c2cc(C#N)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C38H29N3/c1-3-11-35-31(4-2)32-12-5-8-15-36(32)40(35)29-20-18-27(19-21-29)28-22-26(25-39)23-30(24-28)41-37-16-9-6-13-33(37)34-14-7-10-17-38(34)41/h3,5-24H,4H2,1-2H3/b11-3-
InChIKeyVAHDVXZZYYJGET-JYOAFUTRSA-N
XLogP9.86
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299
9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958469
9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 146939087
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-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336187
3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile
CID 144604962
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
3-carbazol-9-yl-5-[3-fluoroiodanuidyl-5-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 147853165
4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile
CID 150999428
3-(4-carbazol-9-ylphenyl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
CID 129290907
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile?
The IUPAC name of 3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile (CID 146339497) is 3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile is C/C=C\c1c(CC)c2ccccc2n1-c1ccc(-c2cc(C#N)cc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile?
The InChIKey is VAHDVXZZYYJGET-JYOAFUTRSA-N. The full InChI is InChI=1S/C38H29N3/c1-3-11-35-31(4-2)32-12-5-8-15-36(32)40(35)29-20-18-27(19-21-29)28-22-26(25-39)23-30(24-28)41-37-16-9-6-13-33(37)34-14-7-10-17-38(34)41/h3,5-24H,4H2,1-2H3/b11-3-.
What are the key properties of 3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile?
3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile has a molecular weight of 527.67 g/mol, XLogP of 9.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile is sourced from PubChem (CID 146339497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).