N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine

C42H28N2S — CID 167086517

IUPACN-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C42H28N2S/c1-2-14-29(15-3-1)43(30-26-27-36-35-20-8-13-25-41(35)45-42(36)28-30)37-21-9-4-16-31(37)32-17-5-10-22-38(32)44-39-23-11-6-18-33(39)34-19-7-12-24-40(34)44/h1-28H
InChIKeyOWOZUGLDXJRRPI-UHFFFAOYSA-N
MW592.77 g/mol
LogP12.29
Rot. Bonds5

About N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine

N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine (PubChem CID 167086517) has the molecular formula C42H28N2S and a molecular weight of 592.77 g/mol. Its IUPAC name is N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
PubChem CID167086517
Molecular FormulaC42H28N2S
Molecular Weight592.77 g/mol
Exact Mass592.20
IUPAC NameN-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C42H28N2S/c1-2-14-29(15-3-1)43(30-26-27-36-35-20-8-13-25-41(35)45-42(36)28-30)37-21-9-4-16-31(37)32-17-5-10-22-38(32)44-39-23-11-6-18-33(39)34-19-7-12-24-40(34)44/h1-28H
InChIKeyOWOZUGLDXJRRPI-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

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167322828
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-2-phenylaniline
CID 155396593
N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine
CID 167227767
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
CID 167322523
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502523
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-dibenzothiophen-3-ylaniline
CID 147107274
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 167227669
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine
CID 167322826
N-[4-[2-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-2-(2-phenylphenyl)aniline
CID 118086518
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)dibenzothiophen-3-amine
CID 167322587
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine
CID 167227684

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine?
The IUPAC name of N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine (CID 167086517) is N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine.
What is the SMILES notation for N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine?
The canonical SMILES for N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine is c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine?
The InChIKey is OWOZUGLDXJRRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2S/c1-2-14-29(15-3-1)43(30-26-27-36-35-20-8-13-25-41(35)45-42(36)28-30)37-21-9-4-16-31(37)32-17-5-10-22-38(32)44-39-23-11-6-18-33(39)34-19-7-12-24-40(34)44/h1-28H.
What are the key properties of N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine?
N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-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-[2-(2-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine is sourced from PubChem (CID 167086517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).