N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine

C48H33NS — CID 135277433

IUPACN-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)ccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H33NS/c1-4-14-34(15-5-1)36-24-26-39(27-25-36)47-45(33-32-43-42-21-11-13-23-46(42)50-48(43)47)49(40-30-28-37(29-31-40)35-16-6-2-7-17-35)44-22-12-10-20-41(44)38-18-8-3-9-19-38/h1-33H
InChIKeyJBFLZKNEEFPMSF-UHFFFAOYSA-N
MW655.87 g/mol
LogP14.19
Rot. Bonds7

About N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine

N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 135277433) has the molecular formula C48H33NS and a molecular weight of 655.87 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID135277433
Molecular FormulaC48H33NS
Molecular Weight655.87 g/mol
Exact Mass655.23
IUPAC NameN-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)ccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H33NS/c1-4-14-34(15-5-1)36-24-26-39(27-25-36)47-45(33-32-43-42-21-11-13-23-46(42)50-48(43)47)49(40-30-28-37(29-31-40)35-16-6-2-7-17-35)44-22-12-10-20-41(44)38-18-8-3-9-19-38/h1-33H
InChIKeyJBFLZKNEEFPMSF-UHFFFAOYSA-N
XLogP14.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.87
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine;N-[4-(4-naphthalen-2-yldibenzothiophen-3-yl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;N-phenyl-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine;4-phenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzothiophen-3-yl]phenyl]aniline;N,N,4-tris(4-phenylphenyl)dibenzothiophen-3-amine
CID 163608762
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
N-(4-naphthalen-1-ylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-3-yl]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzothiophen-3-yl]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 159263484
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155122859
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 129274012
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-4-amine
CID 166861417
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501487
N-[3-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086291
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168790748

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine (CID 135277433) is N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccccc4)ccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is JBFLZKNEEFPMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NS/c1-4-14-34(15-5-1)36-24-26-39(27-25-36)47-45(33-32-43-42-21-11-13-23-46(42)50-48(43)47)49(40-30-28-37(29-31-40)35-16-6-2-7-17-35)44-22-12-10-20-41(44)38-18-8-3-9-19-38/h1-33H.
What are the key properties of N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine?
N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 655.87 g/mol, XLogP of 14.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 135277433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).