9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole

C44H29NS — CID 156552774

IUPAC9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3sc(-c4c(-c5ccccc5)cccc4-n4c5ccccc5c5ccccc54)c4ccccc34)c2)cc1
InChIInChI=1S/C44H29NS/c1-3-15-30(16-4-1)32-19-13-20-33(29-32)43-37-23-7-8-24-38(37)44(46-43)42-34(31-17-5-2-6-18-31)25-14-28-41(42)45-39-26-11-9-21-35(39)36-22-10-12-27-40(36)45/h1-29H
InChIKeyQLDPBGWMYSYRQF-UHFFFAOYSA-N
MW603.79 g/mol
LogP12.67
Rot. Bonds5

About 9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole

9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole (PubChem CID 156552774) has the molecular formula C44H29NS and a molecular weight of 603.79 g/mol. Its IUPAC name is 9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole
PubChem CID156552774
Molecular FormulaC44H29NS
Molecular Weight603.79 g/mol
Exact Mass603.20
IUPAC Name9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3sc(-c4c(-c5ccccc5)cccc4-n4c5ccccc5c5ccccc54)c4ccccc34)c2)cc1
InChIInChI=1S/C44H29NS/c1-3-15-30(16-4-1)32-19-13-20-33(29-32)43-37-23-7-8-24-38(37)44(46-43)42-34(31-17-5-2-6-18-31)25-14-28-41(42)45-39-26-11-9-21-35(39)36-22-10-12-27-40(36)45/h1-29H
InChIKeyQLDPBGWMYSYRQF-UHFFFAOYSA-N
XLogP12.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.79
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]phenyl]carbazole
CID 156553374
1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
CID 156553110
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
9-[3-(4-chlorophenyl)-2-(4-phenylphenyl)phenyl]carbazole
CID 170272912
N-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170271851
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590699
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847706
1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
CID 156553641
9-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]carbazole
CID 156552970
9-[2-(2-carbazol-9-yl-4-phenylphenyl)phenyl]carbazole
CID 138513637

Frequently Asked Questions

What is the IUPAC name of 9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole?
The IUPAC name of 9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole (CID 156552774) is 9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole is c1ccc(-c2cccc(-c3sc(-c4c(-c5ccccc5)cccc4-n4c5ccccc5c5ccccc54)c4ccccc34)c2)cc1.
What is the InChIKey of 9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole?
The InChIKey is QLDPBGWMYSYRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NS/c1-3-15-30(16-4-1)32-19-13-20-33(29-32)43-37-23-7-8-24-38(37)44(46-43)42-34(31-17-5-2-6-18-31)25-14-28-41(42)45-39-26-11-9-21-35(39)36-22-10-12-27-40(36)45/h1-29H.
What are the key properties of 9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole?
9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole has a molecular weight of 603.79 g/mol, XLogP of 12.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole is sourced from PubChem (CID 156552774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).