N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine

C48H33NS — CID 164744357

IUPACN,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccccc2-c2cccc(N(c3cccc(-c4ccccc4-c4ccccc4)c3)c3cccc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C48H33NS/c1-3-16-34(17-4-1)40-24-7-9-26-42(40)36-20-13-22-38(32-36)49(45-29-15-31-47-48(45)44-28-11-12-30-46(44)50-47)39-23-14-21-37(33-39)43-27-10-8-25-41(43)35-18-5-2-6-19-35/h1-33H
InChIKeyFYAKYJBGXWDGLY-UHFFFAOYSA-N
MW655.87 g/mol
LogP14.19
Rot. Bonds7

About N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine

N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine (PubChem CID 164744357) has the molecular formula C48H33NS and a molecular weight of 655.87 g/mol. Its IUPAC name is N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
PubChem CID164744357
Molecular FormulaC48H33NS
Molecular Weight655.87 g/mol
Exact Mass655.23
IUPAC NameN,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccccc2-c2cccc(N(c3cccc(-c4ccccc4-c4ccccc4)c3)c3cccc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C48H33NS/c1-3-16-34(17-4-1)40-24-7-9-26-42(40)36-20-13-22-38(32-36)49(45-29-15-31-47-48(45)44-28-11-12-30-46(44)50-47)39-23-14-21-37(33-39)43-27-10-8-25-41(43)35-18-5-2-6-19-35/h1-33H
InChIKeyFYAKYJBGXWDGLY-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-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 164744330
N-[3-[2-(N-dibenzothiophen-1-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 167087062
N-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170665716
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168766669
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583138
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
2-[2-(N-(4-dibenzothiophen-1-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167087126
N-(4-dibenzothiophen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168790141

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine (CID 164744357) is N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine is c1ccc(-c2ccccc2-c2cccc(N(c3cccc(-c4ccccc4-c4ccccc4)c3)c3cccc4sc5ccccc5c34)c2)cc1.
What is the InChIKey of N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
The InChIKey is FYAKYJBGXWDGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NS/c1-3-16-34(17-4-1)40-24-7-9-26-42(40)36-20-13-22-38(32-36)49(45-29-15-31-47-48(45)44-28-11-12-30-46(44)50-47)39-23-14-21-37(33-39)43-27-10-8-25-41(43)35-18-5-2-6-19-35/h1-33H.
What are the key properties of N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine?
N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-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,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 164744357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).