N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine

C48H32N2S — CID 169009618

IUPACN-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
SMILESc1ccc(-c2cccc3c2c2ccc(N(c4ccccc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H32N2S/c1-4-13-34(14-5-1)40-20-12-21-44-48(40)42-29-28-39(32-45(42)50(44)37-17-8-3-9-18-37)49(36-15-6-2-7-16-36)38-26-23-33(24-27-38)35-25-30-47-43(31-35)41-19-10-11-22-46(41)51-47/h1-32H
InChIKeyDWKOMTVORXQSHZ-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.96
Rot. Bonds6

About N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine

N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine (PubChem CID 169009618) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
PubChem CID169009618
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
SMILESc1ccc(-c2cccc3c2c2ccc(N(c4ccccc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H32N2S/c1-4-13-34(14-5-1)40-20-12-21-44-48(40)42-29-28-39(32-45(42)50(44)37-17-8-3-9-18-37)49(36-15-6-2-7-16-36)38-26-23-33(24-27-38)35-25-30-47-43(31-35)41-19-10-11-22-46(41)51-47/h1-32H
InChIKeyDWKOMTVORXQSHZ-UHFFFAOYSA-N
XLogP13.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.87
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-2-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169009594
N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009610
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196056
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380029
N,9-diphenyl-5-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169009789
4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline
CID 169010334
N,N,5,9-tetraphenylcarbazol-2-amine
CID 155156029
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578528
3-N-(8-dibenzothiophen-3-yldibenzothiophen-3-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 157137830
N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 166847673

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine (CID 169009618) is N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine is c1ccc(-c2cccc3c2c2ccc(N(c4ccccc4)c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc2n3-c2ccccc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine?
The InChIKey is DWKOMTVORXQSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-4-13-34(14-5-1)40-20-12-21-44-48(40)42-29-28-39(32-45(42)50(44)37-17-8-3-9-18-37)49(36-15-6-2-7-16-36)38-26-23-33(24-27-38)35-25-30-47-43(31-35)41-19-10-11-22-46(41)51-47/h1-32H.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine?
N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine has a molecular weight of 668.87 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine is sourced from PubChem (CID 169009618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).