3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C60H40N2S — CID 167196056

IUPAC3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc6c5c5ccccc5n6-c5ccc6sc7ccccc7c6c5)c4)cc3)cc2)cc1
InChIInChI=1S/C60H40N2S/c1-3-13-41(14-4-1)43-25-27-44(28-26-43)46-31-35-49(36-32-46)61(48-33-29-45(30-34-48)42-15-5-2-6-16-42)50-18-11-17-47(39-50)52-21-12-23-57-60(52)54-20-7-9-22-56(54)62(57)51-37-38-59-55(40-51)53-19-8-10-24-58(53)63-59/h1-40H
InChIKeyAUCMCZGREFPNII-UHFFFAOYSA-N
MW821.06 g/mol
LogP17.29
Rot. Bonds8

About 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 167196056) has the molecular formula C60H40N2S and a molecular weight of 821.06 g/mol. Its IUPAC name is 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID167196056
Molecular FormulaC60H40N2S
Molecular Weight821.06 g/mol
Exact Mass820.29
IUPAC Name3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc6c5c5ccccc5n6-c5ccc6sc7ccccc7c6c5)c4)cc3)cc2)cc1
InChIInChI=1S/C60H40N2S/c1-3-13-41(14-4-1)43-25-27-44(28-26-43)46-31-35-49(36-32-46)61(48-33-29-45(30-34-48)42-15-5-2-6-16-42)50-18-11-17-47(39-50)52-21-12-23-57-60(52)54-20-7-9-22-56(54)62(57)51-37-38-59-55(40-51)53-19-8-10-24-58(53)63-59/h1-40H
InChIKeyAUCMCZGREFPNII-UHFFFAOYSA-N
XLogP17.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.06
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009618
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154
8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 90372249
N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 166847673
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578528
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
9-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)carbazol-2-amine;9-dibenzothiophen-2-yl-N-[4-(2-methylphenyl)phenyl]-N-phenylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-phenyl-N-(3-phenylphenyl)carbazol-2-amine;9-dibenzothiophen-2-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]carbazol-2-amine
CID 157441264
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380029
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 167196056) is 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc6c5c5ccccc5n6-c5ccc6sc7ccccc7c6c5)c4)cc3)cc2)cc1.
What is the InChIKey of 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is AUCMCZGREFPNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2S/c1-3-13-41(14-4-1)43-25-27-44(28-26-43)46-31-35-49(36-32-46)61(48-33-29-45(30-34-48)42-15-5-2-6-16-42)50-18-11-17-47(39-50)52-21-12-23-57-60(52)54-20-7-9-22-56(54)62(57)51-37-38-59-55(40-51)53-19-8-10-24-58(53)63-59/h1-40H.
What are the key properties of 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 821.06 g/mol, XLogP of 17.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167196056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).