4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline

C58H40N2S — CID 58281754

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc(-c6ccccc6)s5)c4)cc3)cc2)cc1
InChIInChI=1S/C58H40N2S/c1-4-13-41(14-5-1)43-23-30-49(31-24-43)59(50-32-25-44(26-33-50)42-15-6-2-7-16-42)51-34-27-45(28-35-51)47-29-36-56-54(40-47)53-21-10-11-22-55(53)60(56)52-20-12-19-48(39-52)58-38-37-57(61-58)46-17-8-3-9-18-46/h1-40H
InChIKeyJYVGUVZTVFVDSW-UHFFFAOYSA-N
MW797.04 g/mol
LogP16.65
Rot. Bonds9

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline (PubChem CID 58281754) has the molecular formula C58H40N2S and a molecular weight of 797.04 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline
PubChem CID58281754
Molecular FormulaC58H40N2S
Molecular Weight797.04 g/mol
Exact Mass796.29
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc(-c6ccccc6)s5)c4)cc3)cc2)cc1
InChIInChI=1S/C58H40N2S/c1-4-13-41(14-5-1)43-23-30-49(31-24-43)59(50-32-25-44(26-33-50)42-15-6-2-7-16-42)51-34-27-45(28-35-51)47-29-36-56-54(40-47)53-21-10-11-22-55(53)60(56)52-20-12-19-48(39-52)58-38-37-57(61-58)46-17-8-3-9-18-46/h1-40H
InChIKeyJYVGUVZTVFVDSW-UHFFFAOYSA-N
XLogP16.65
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.04
LogP ≤ 516.65
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
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]aniline
CID 71038551
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
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 122659667
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59827974
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;9-[3-[3-(3-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161275498
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
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
N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-diphenylaniline;6-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine;4-phenyl-N-[4-[5-(9-phenylcarbazol-3-yl)thiophen-2-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 165092408
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline (CID 58281754) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc(-c6ccccc6)s5)c4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline?
The InChIKey is JYVGUVZTVFVDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2S/c1-4-13-41(14-5-1)43-23-30-49(31-24-43)59(50-32-25-44(26-33-50)42-15-6-2-7-16-42)51-34-27-45(28-35-51)47-29-36-56-54(40-47)53-21-10-11-22-55(53)60(56)52-20-12-19-48(39-52)58-38-37-57(61-58)46-17-8-3-9-18-46/h1-40H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline has a molecular weight of 797.04 g/mol, XLogP of 16.65, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[3-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]aniline is sourced from PubChem (CID 58281754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).