7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole

C41H24N2S2 — CID 167452853

IUPAC7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole
SMILESc1ccc(-c2cccc3c2sc2ccc4nc(-c5cc6ccccc6c6c5c5ccccc5n6-c5ccccc5)sc4c23)cc1
InChIInChI=1S/C41H24N2S2/c1-3-12-25(13-4-1)29-19-11-20-31-37-35(44-39(29)31)23-22-33-40(37)45-41(42-33)32-24-26-14-7-8-17-28(26)38-36(32)30-18-9-10-21-34(30)43(38)27-15-5-2-6-16-27/h1-24H
InChIKeyDAFFFBHPVSWQTQ-UHFFFAOYSA-N
MW608.79 g/mol
LogP12.25
Rot. Bonds3

About 7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole

7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole (PubChem CID 167452853) has the molecular formula C41H24N2S2 and a molecular weight of 608.79 g/mol. Its IUPAC name is 7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole.

Molecular Properties

Compound Name7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole
PubChem CID167452853
Molecular FormulaC41H24N2S2
Molecular Weight608.79 g/mol
Exact Mass608.14
IUPAC Name7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole
SMILESc1ccc(-c2cccc3c2sc2ccc4nc(-c5cc6ccccc6c6c5c5ccccc5n6-c5ccccc5)sc4c23)cc1
InChIInChI=1S/C41H24N2S2/c1-3-12-25(13-4-1)29-19-11-20-31-37-35(44-39(29)31)23-22-33-40(37)45-41(42-33)32-24-26-14-7-8-17-28(26)38-36(32)30-18-9-10-21-34(30)43(38)27-15-5-2-6-16-27/h1-24H
InChIKeyDAFFFBHPVSWQTQ-UHFFFAOYSA-N
XLogP12.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.79
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole with MolForge

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Related Compounds

9-(4-dibenzothiophen-4-ylphenyl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 126580112
2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 167453490
6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole
CID 174274925
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-3-pyridinyl]-12-phenyl-[1]benzothiolo[3,2-a]carbazole
CID 167403974
5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
CID 172515282
9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole
CID 146616859
2-[3-[12-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-a]carbazol-11-yl]phenyl]-1,3-benzothiazole
CID 174273008
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 122501672
5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole
CID 126656177
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 167453330
10-phenyl-6-[3-(6-phenyldibenzothiophen-1-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164827769
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine
CID 174294709

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole?
The IUPAC name of 7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole (CID 167452853) is 7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole.
What is the SMILES notation for 7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole?
The canonical SMILES for 7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole is c1ccc(-c2cccc3c2sc2ccc4nc(-c5cc6ccccc6c6c5c5ccccc5n6-c5ccccc5)sc4c23)cc1.
What is the InChIKey of 7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole?
The InChIKey is DAFFFBHPVSWQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2S2/c1-3-12-25(13-4-1)29-19-11-20-31-37-35(44-39(29)31)23-22-33-40(37)45-41(42-33)32-24-26-14-7-8-17-28(26)38-36(32)30-18-9-10-21-34(30)43(38)27-15-5-2-6-16-27/h1-24H.
What are the key properties of 7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole?
7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole has a molecular weight of 608.79 g/mol, XLogP of 12.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole is sourced from PubChem (CID 167452853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).