9-[9-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-1-carbonitrile

C38H27N3S — CID 144923050

IUPAC9-[9-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-1-carbonitrile
SMILESC/C=C\c1c(CC)c2ccccc2n1-c1cccc2sc3ccc(-n4c5ccccc5c5cccc(C#N)c54)cc3c12
InChIInChI=1S/C38H27N3S/c1-3-11-31-26(4-2)27-13-5-8-17-33(27)41(31)34-18-10-19-36-37(34)30-22-25(20-21-35(30)42-36)40-32-16-7-6-14-28(32)29-15-9-12-24(23-39)38(29)40/h3,5-22H,4H2,1-2H3/b11-3-
InChIKeyMUZLXXBCJXWRNB-JYOAFUTRSA-N
MW557.72 g/mol
LogP10.56
Rot. Bonds4

About 9-[9-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-1-carbonitrile

9-[9-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-1-carbonitrile (PubChem CID 144923050) has the molecular formula C38H27N3S and a molecular weight of 557.72 g/mol. Its IUPAC name is 9-[9-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-[9-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-1-carbonitrile
PubChem CID144923050
Molecular FormulaC38H27N3S
Molecular Weight557.72 g/mol
Exact Mass557.19
IUPAC Name9-[9-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-1-carbonitrile
SMILESC/C=C\c1c(CC)c2ccccc2n1-c1cccc2sc3ccc(-n4c5ccccc5c5cccc(C#N)c54)cc3c12
InChIInChI=1S/C38H27N3S/c1-3-11-31-26(4-2)27-13-5-8-17-33(27)41(31)34-18-10-19-36-37(34)30-22-25(20-21-35(30)42-36)40-32-16-7-6-14-28(32)29-15-9-12-24(23-39)38(29)40/h3,5-22H,4H2,1-2H3/b11-3-
InChIKeyMUZLXXBCJXWRNB-JYOAFUTRSA-N
XLogP10.56
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.72
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[9-(4-cyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-4-carbonitrile
CID 118396582
9-[9-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-2-carbonitrile
CID 144923035
3-carbazol-9-yl-9-[9-(8-carbazol-9-yldibenzothiophen-1-yl)carbazol-3-yl]carbazole
CID 176831748
9-(8-carbazol-9-yldibenzothiophen-1-yl)-3-methylcarbazole
CID 126754707
9-(8-carbazol-9-yldibenzothiophen-1-yl)-2-methylcarbazole
CID 126754595
9-[3-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile
CID 154958001
3-carbazol-9-yl-9-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831685
3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile
CID 146339497
5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile
CID 175634748
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole
CID 176831682
9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile
CID 122501128
9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 153117402

Frequently Asked Questions

What is the IUPAC name of 9-[9-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-1-carbonitrile?
The IUPAC name of 9-[9-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-1-carbonitrile (CID 144923050) is 9-[9-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-1-carbonitrile.
What is the SMILES notation for 9-[9-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-1-carbonitrile?
The canonical SMILES for 9-[9-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-1-carbonitrile is C/C=C\c1c(CC)c2ccccc2n1-c1cccc2sc3ccc(-n4c5ccccc5c5cccc(C#N)c54)cc3c12.
What is the InChIKey of 9-[9-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-1-carbonitrile?
The InChIKey is MUZLXXBCJXWRNB-JYOAFUTRSA-N. The full InChI is InChI=1S/C38H27N3S/c1-3-11-31-26(4-2)27-13-5-8-17-33(27)41(31)34-18-10-19-36-37(34)30-22-25(20-21-35(30)42-36)40-32-16-7-6-14-28(32)29-15-9-12-24(23-39)38(29)40/h3,5-22H,4H2,1-2H3/b11-3-.
What are the key properties of 9-[9-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-1-carbonitrile?
9-[9-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-1-carbonitrile has a molecular weight of 557.72 g/mol, XLogP of 10.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-1-carbonitrile is sourced from PubChem (CID 144923050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).