9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole

C37H26N2S — CID 144585554

IUPAC9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole
SMILESC=Cc1c(/C=C\C)c2ccccc2n1-c1cccc2c1sc1ccc(-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C37H26N2S/c1-3-12-25-26-13-7-10-19-34(26)39(31(25)4-2)35-20-11-16-29-30-23-24(21-22-36(30)40-37(29)35)38-32-17-8-5-14-27(32)28-15-6-9-18-33(28)38/h3-23H,2H2,1H3/b12-3-
InChIKeyWRPUPBFUQGBHBX-BASWHVEKSA-N
MW530.70 g/mol
LogP10.77
Rot. Bonds4

About 9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole

9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole (PubChem CID 144585554) has the molecular formula C37H26N2S and a molecular weight of 530.70 g/mol. Its IUPAC name is 9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole
PubChem CID144585554
Molecular FormulaC37H26N2S
Molecular Weight530.70 g/mol
Exact Mass530.18
IUPAC Name9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole
SMILESC=Cc1c(/C=C\C)c2ccccc2n1-c1cccc2c1sc1ccc(-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C37H26N2S/c1-3-12-25-26-13-7-10-19-34(26)39(31(25)4-2)35-20-11-16-29-30-23-24(21-22-36(30)40-37(29)35)38-32-17-8-5-14-27(32)28-15-6-9-18-33(28)38/h3-23H,2H2,1H3/b12-3-
InChIKeyWRPUPBFUQGBHBX-BASWHVEKSA-N
XLogP10.77
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.70
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[9-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole-2-carbonitrile
CID 144923035
9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
CID 89315996
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 138481747
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831674
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid
CID 167453480
6-bromo-2-chlorodibenzothiophene;9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 158142145
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299

Frequently Asked Questions

What is the IUPAC name of 9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole (CID 144585554) is 9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole is C=Cc1c(/C=C\C)c2ccccc2n1-c1cccc2c1sc1ccc(-n3c4ccccc4c4ccccc43)cc12.
What is the InChIKey of 9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole?
The InChIKey is WRPUPBFUQGBHBX-BASWHVEKSA-N. The full InChI is InChI=1S/C37H26N2S/c1-3-12-25-26-13-7-10-19-34(26)39(31(25)4-2)35-20-11-16-29-30-23-24(21-22-36(30)40-37(29)35)38-32-17-8-5-14-27(32)28-15-6-9-18-33(28)38/h3-23H,2H2,1H3/b12-3-.
What are the key properties of 9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole?
9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole has a molecular weight of 530.70 g/mol, XLogP of 10.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 144585554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).