N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine

C42H28N2S — CID 145430526

IUPACN,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)cc1
InChIInChI=1S/C42H28N2S/c1-4-12-31(13-5-1)43(32-14-6-2-7-15-32)34-22-24-37-38-26-29(21-25-41(38)45-42(37)28-34)30-20-23-36-35-18-10-11-19-39(35)44(40(36)27-30)33-16-8-3-9-17-33/h1-28H
InChIKeyBZFUKUZGMQQYNY-UHFFFAOYSA-N
MW592.77 g/mol
LogP12.29
Rot. Bonds5

About N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine

N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine (PubChem CID 145430526) has the molecular formula C42H28N2S and a molecular weight of 592.77 g/mol. Its IUPAC name is N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine
PubChem CID145430526
Molecular FormulaC42H28N2S
Molecular Weight592.77 g/mol
Exact Mass592.20
IUPAC NameN,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)cc1
InChIInChI=1S/C42H28N2S/c1-4-12-31(13-5-1)43(32-14-6-2-7-15-32)34-22-24-37-38-26-29(21-25-41(38)45-42(37)28-34)30-20-23-36-35-18-10-11-19-39(35)44(40(36)27-30)33-16-8-3-9-17-33/h1-28H
InChIKeyBZFUKUZGMQQYNY-UHFFFAOYSA-N
XLogP12.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.77
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,3-N-triphenyl-3-N-[3-(N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]anilino)phenyl]benzene-1,3-diamine
CID 164933153
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-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158726355
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159
N-phenyl-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]dibenzofuran-3-amine
CID 129180955
8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 90372249
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578528
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351069
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 90077208
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine?
The IUPAC name of N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine (CID 145430526) is N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine.
What is the SMILES notation for N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine?
The canonical SMILES for N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)cc1.
What is the InChIKey of N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine?
The InChIKey is BZFUKUZGMQQYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2S/c1-4-12-31(13-5-1)43(32-14-6-2-7-15-32)34-22-24-37-38-26-29(21-25-41(38)45-42(37)28-34)30-20-23-36-35-18-10-11-19-39(35)44(40(36)27-30)33-16-8-3-9-17-33/h1-28H.
What are the key properties of N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine?
N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine has a molecular weight of 592.77 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine is sourced from PubChem (CID 145430526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).