3-(4-chlorophenyl)-6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazole;ethane

C48H40ClNS2 — CID 143802874

IUPAC3-(4-chlorophenyl)-6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazole;ethane
SMILESCC.CC.Clc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccccc5)s4)ccc2n3-c2cccc(-c3ccc(-c4ccccc4)s3)c2)cc1
InChIInChI=1S/C44H28ClNS2.2C2H6/c45-35-18-14-29(15-19-35)32-16-20-39-37(27-32)38-28-34(44-25-23-42(48-44)31-10-5-2-6-11-31)17-21-40(38)46(39)36-13-7-12-33(26-36)43-24-22-41(47-43)30-8-3-1-4-9-30;2*1-2/h1-28H;2*1-2H3
InChIKeyYHNBWCRDGVDWDI-UHFFFAOYSA-N
MW730.44 g/mol
LogP15.95
Rot. Bonds6

About 3-(4-chlorophenyl)-6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazole;ethane

3-(4-chlorophenyl)-6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazole;ethane (PubChem CID 143802874) has the molecular formula C48H40ClNS2 and a molecular weight of 730.44 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazole;ethane.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazole;ethane
PubChem CID143802874
Molecular FormulaC48H40ClNS2
Molecular Weight730.44 g/mol
Exact Mass729.23
IUPAC Name3-(4-chlorophenyl)-6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazole;ethane
SMILESCC.CC.Clc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccccc5)s4)ccc2n3-c2cccc(-c3ccc(-c4ccccc4)s3)c2)cc1
InChIInChI=1S/C44H28ClNS2.2C2H6/c45-35-18-14-29(15-19-35)32-16-20-39-37(27-32)38-28-34(44-25-23-42(48-44)31-10-5-2-6-11-31)17-21-40(38)46(39)36-13-7-12-33(26-36)43-24-22-41(47-43)30-8-3-1-4-9-30;2*1-2/h1-28H;2*1-2H3
InChIKeyYHNBWCRDGVDWDI-UHFFFAOYSA-N
XLogP15.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.44
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 58281727
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 58281754
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole
CID 177093533
1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 118402477
3-(4-chlorophenyl)-9-phenylcarbazole
CID 59365524
3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole
CID 161117587
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 144639934
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazole;ethane?
The IUPAC name of 3-(4-chlorophenyl)-6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazole;ethane (CID 143802874) is 3-(4-chlorophenyl)-6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazole;ethane.
What is the SMILES notation for 3-(4-chlorophenyl)-6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazole;ethane?
The canonical SMILES for 3-(4-chlorophenyl)-6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazole;ethane is CC.CC.Clc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccccc5)s4)ccc2n3-c2cccc(-c3ccc(-c4ccccc4)s3)c2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazole;ethane?
The InChIKey is YHNBWCRDGVDWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28ClNS2.2C2H6/c45-35-18-14-29(15-19-35)32-16-20-39-37(27-32)38-28-34(44-25-23-42(48-44)31-10-5-2-6-11-31)17-21-40(38)46(39)36-13-7-12-33(26-36)43-24-22-41(47-43)30-8-3-1-4-9-30;2*1-2/h1-28H;2*1-2H3.
What are the key properties of 3-(4-chlorophenyl)-6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazole;ethane?
3-(4-chlorophenyl)-6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazole;ethane has a molecular weight of 730.44 g/mol, XLogP of 15.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-(5-phenylthiophen-2-yl)-9-[3-(5-phenylthiophen-2-yl)phenyl]carbazole;ethane is sourced from PubChem (CID 143802874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).