(4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile

C32H19N3S — CID 167149506

IUPAC(4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile
SMILESN#Cc1ccc2c(c1)N(c1ccccc1-c1ccc3c(c1)sc1cc(C#N)ccc13)C1C=CC=C[C@H]21
InChIInChI=1S/C32H19N3S/c33-18-20-9-12-25-24-6-2-4-8-29(24)35(30(25)15-20)28-7-3-1-5-23(28)22-11-14-27-26-13-10-21(19-34)16-31(26)36-32(27)17-22/h1-17,24,29H/t24-,29?/m1/s1
InChIKeyWWWRQBNUFCYUMB-OEXUWWALSA-N
MW477.59 g/mol
LogP8.19
Rot. Bonds2

About (4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile

(4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile (PubChem CID 167149506) has the molecular formula C32H19N3S and a molecular weight of 477.59 g/mol. Its IUPAC name is (4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile.

Molecular Properties

Compound Name(4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile
PubChem CID167149506
Molecular FormulaC32H19N3S
Molecular Weight477.59 g/mol
Exact Mass477.13
IUPAC Name(4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile
SMILESN#Cc1ccc2c(c1)N(c1ccccc1-c1ccc3c(c1)sc1cc(C#N)ccc13)C1C=CC=C[C@H]21
InChIInChI=1S/C32H19N3S/c33-18-20-9-12-25-24-6-2-4-8-29(24)35(30(25)15-20)28-7-3-1-5-23(28)22-11-14-27-26-13-10-21(19-34)16-31(26)36-32(27)17-22/h1-17,24,29H/t24-,29?/m1/s1
InChIKeyWWWRQBNUFCYUMB-OEXUWWALSA-N
XLogP8.19
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile
CID 147061699
8-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile
CID 126577581
3-carbazol-9-yl-4-dibenzothiophen-3-ylbenzonitrile
CID 126577540
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole
CID 170086538
5-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 167280974
9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 153168563
3-(4a,9a-dihydrocarbazol-9-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile
CID 165401491
3-[2,6-di(dibenzothiophen-3-yl)phenyl]benzonitrile
CID 146354885
4-dibenzothiophen-3-ylbenzene-1,3-dicarbonitrile
CID 156576874
9-[2-[3-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile
CID 167281071
3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile
CID 170189437
7-[2-(3-cyanophenyl)-3-dibenzothiophen-3-ylphenyl]dibenzothiophene-2-carbonitrile
CID 146354888

Frequently Asked Questions

What is the IUPAC name of (4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile?
The IUPAC name of (4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile (CID 167149506) is (4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile.
What is the SMILES notation for (4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile?
The canonical SMILES for (4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile is N#Cc1ccc2c(c1)N(c1ccccc1-c1ccc3c(c1)sc1cc(C#N)ccc13)C1C=CC=C[C@H]21.
What is the InChIKey of (4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile?
The InChIKey is WWWRQBNUFCYUMB-OEXUWWALSA-N. The full InChI is InChI=1S/C32H19N3S/c33-18-20-9-12-25-24-6-2-4-8-29(24)35(30(25)15-20)28-7-3-1-5-23(28)22-11-14-27-26-13-10-21(19-34)16-31(26)36-32(27)17-22/h1-17,24,29H/t24-,29?/m1/s1.
What are the key properties of (4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile?
(4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile has a molecular weight of 477.59 g/mol, XLogP of 8.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile is sourced from PubChem (CID 167149506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).