N-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine

C54H35NOS — CID 177281468

IUPACN-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3c(-c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)oc4ccccc45)ccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H35NOS/c1-3-13-36(14-4-1)38-23-25-40(26-24-38)53-46(33-34-52-54(53)47-19-9-12-22-51(47)57-52)43-17-7-10-20-48(43)55(41-29-27-39(28-30-41)37-15-5-2-6-16-37)42-31-32-45-44-18-8-11-21-49(44)56-50(45)35-42/h1-35H
InChIKeyGZAQGEKHBRJUMH-UHFFFAOYSA-N
MW745.95 g/mol
LogP16.09
Rot. Bonds7

About N-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine

N-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine (PubChem CID 177281468) has the molecular formula C54H35NOS and a molecular weight of 745.95 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
PubChem CID177281468
Molecular FormulaC54H35NOS
Molecular Weight745.95 g/mol
Exact Mass745.24
IUPAC NameN-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3c(-c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)oc4ccccc45)ccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H35NOS/c1-3-13-36(14-4-1)38-23-25-40(26-24-38)53-46(33-34-52-54(53)47-19-9-12-22-51(47)57-52)43-17-7-10-20-48(43)55(41-29-27-39(28-30-41)37-15-5-2-6-16-37)42-31-32-45-44-18-8-11-21-49(44)56-50(45)35-42/h1-35H
InChIKeyGZAQGEKHBRJUMH-UHFFFAOYSA-N
XLogP16.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.95
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
CID 177281539
N-(2-dibenzothiophen-1-yl-3-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 167293358
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325717
N-(4-phenylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789991
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503042
1-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,7-diamine
CID 146574153
N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168766712
N-(2-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167325748
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186790
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171434983

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine (CID 177281468) is N-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(-c3c(-c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)oc4ccccc45)ccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine?
The InChIKey is GZAQGEKHBRJUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NOS/c1-3-13-36(14-4-1)38-23-25-40(26-24-38)53-46(33-34-52-54(53)47-19-9-12-22-51(47)57-52)43-17-7-10-20-48(43)55(41-29-27-39(28-30-41)37-15-5-2-6-16-37)42-31-32-45-44-18-8-11-21-49(44)56-50(45)35-42/h1-35H.
What are the key properties of N-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine?
N-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine has a molecular weight of 745.95 g/mol, XLogP of 16.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[2-[1-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 177281468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).