N,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine

C34H23N3S — CID 169061390

IUPACN,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine
SMILESc1ccc2c(c1)sc1ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccncc4)cc3)cc12
InChIInChI=1S/C34H23N3S/c1-2-4-33-31(3-1)32-23-30(13-14-34(32)38-33)37(28-9-5-24(6-10-28)26-15-19-35-20-16-26)29-11-7-25(8-12-29)27-17-21-36-22-18-27/h1-23H
InChIKeyQKDGCNLKYCXVHW-UHFFFAOYSA-N
MW505.65 g/mol
LogP9.65
Rot. Bonds5

About N,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine

N,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine (PubChem CID 169061390) has the molecular formula C34H23N3S and a molecular weight of 505.65 g/mol. Its IUPAC name is N,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine
PubChem CID169061390
Molecular FormulaC34H23N3S
Molecular Weight505.65 g/mol
Exact Mass505.16
IUPAC NameN,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine
SMILESc1ccc2c(c1)sc1ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccncc4)cc3)cc12
InChIInChI=1S/C34H23N3S/c1-2-4-33-31(3-1)32-23-30(13-14-34(32)38-33)37(28-9-5-24(6-10-28)26-15-19-35-20-16-26)29-11-7-25(8-12-29)27-17-21-36-22-18-27/h1-23H
InChIKeyQKDGCNLKYCXVHW-UHFFFAOYSA-N
XLogP9.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.65
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-6-amine
CID 166860561
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridin-8-amine
CID 166860748
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-triphenylen-2-ylaniline
CID 118214585
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine
CID 155135337
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine (CID 169061390) is N,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine is c1ccc2c(c1)sc1ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccncc4)cc3)cc12.
What is the InChIKey of N,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine?
The InChIKey is QKDGCNLKYCXVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3S/c1-2-4-33-31(3-1)32-23-30(13-14-34(32)38-33)37(28-9-5-24(6-10-28)26-15-19-35-20-16-26)29-11-7-25(8-12-29)27-17-21-36-22-18-27/h1-23H.
What are the key properties of N,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine?
N,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine has a molecular weight of 505.65 g/mol, XLogP of 9.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 169061390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).