5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole

C30H21NS — CID 144884862

IUPAC5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole
SMILESC1=Cc2c(sc3c2ccc2c3c3ccccc3n2-c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C30H21NS/c1-2-8-20(9-3-1)21-14-16-22(17-15-21)31-26-12-6-4-11-25(26)29-27(31)19-18-24-23-10-5-7-13-28(23)32-30(24)29/h1-6,8-12,14-19H,7,13H2
InChIKeyGJOZPPWCXNHGRS-UHFFFAOYSA-N
MW427.57 g/mol
LogP8.62
Rot. Bonds2

About 5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole

5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole (PubChem CID 144884862) has the molecular formula C30H21NS and a molecular weight of 427.57 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole
PubChem CID144884862
Molecular FormulaC30H21NS
Molecular Weight427.57 g/mol
Exact Mass427.14
IUPAC Name5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole
SMILESC1=Cc2c(sc3c2ccc2c3c3ccccc3n2-c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C30H21NS/c1-2-8-20(9-3-1)21-14-16-22(17-15-21)31-26-12-6-4-11-25(26)29-27(31)19-18-24-23-10-5-7-13-28(23)32-30(24)29/h1-6,8-12,14-19H,7,13H2
InChIKeyGJOZPPWCXNHGRS-UHFFFAOYSA-N
XLogP8.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 123696000
3-[4-(10,11-dihydro-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N,N-diphenylaniline
CID 163478286
9-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 130184110
7-(6,7-dihydrodibenzothiophen-2-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 163755377
6,24-bis(4-carbazol-9-ylphenyl)-15-thia-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-dodecaene
CID 138736430
N,4-diphenyl-N-[4-[24-[4-(N-(4-phenylphenyl)anilino)phenyl]-15-thia-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]phenyl]aniline
CID 118651790
5-(4-cyclohexa-1,2,3,5-tetraen-1-ylphenyl)-3,4,10,11-tetrahydro-[1]benzothiolo[3,2-c]carbazole
CID 134390926
5-chloro-7-[4-(4-phenylphenyl)phenyl]-1,2-dihydrobenzo[c]carbazole
CID 145362296
5-[4-(4-methylphenyl)phenyl]-10,11-dihydro-[1]benzofuro[3,2-c]carbazole
CID 144907071
2-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)phenyl]-4-phenyl-6,7-dihydro-[1]benzothiolo[3,2-d]pyrimidine
CID 123844288
9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole
CID 139337053
6,24-bis(9-phenylcarbazol-2-yl)-15-thia-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-dodecaene
CID 138736429

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole (CID 144884862) is 5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole is C1=Cc2c(sc3c2ccc2c3c3ccccc3n2-c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is GJOZPPWCXNHGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NS/c1-2-8-20(9-3-1)21-14-16-22(17-15-21)31-26-12-6-4-11-25(26)29-27(31)19-18-24-23-10-5-7-13-28(23)32-30(24)29/h1-6,8-12,14-19H,7,13H2.
What are the key properties of 5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole?
5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 427.57 g/mol, XLogP of 8.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-10,11-dihydro-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 144884862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).