N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine

C52H33NOS — CID 167397414

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc23)cc1
InChIInChI=1S/C52H33NOS/c1-2-12-35(13-3-1)43-20-10-22-46-47-23-11-24-48(52(47)55-51(43)46)53(38-30-26-36(27-31-38)41-18-8-15-34-14-4-5-16-40(34)41)39-32-28-37(29-33-39)42-19-9-21-45-44-17-6-7-25-49(44)54-50(42)45/h1-33H
InChIKeyPLMBHJGBTONQPY-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine (PubChem CID 167397414) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
PubChem CID167397414
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc23)cc1
InChIInChI=1S/C52H33NOS/c1-2-12-35(13-3-1)43-20-10-22-46-47-23-11-24-48(52(47)55-51(43)46)53(38-30-26-36(27-31-38)41-18-8-15-34-14-4-5-16-40(34)41)39-32-28-37(29-33-39)42-19-9-21-45-44-17-6-7-25-49(44)54-50(42)45/h1-33H
InChIKeyPLMBHJGBTONQPY-UHFFFAOYSA-N
XLogP15.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168771936
N-(6-phenyldibenzothiophen-4-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397269
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397285
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]naphthalen-1-amine;N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 160742850
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397214
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157079303
N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 155374408
N-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 168772165
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine (CID 167397414) is N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine is c1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc23)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine?
The InChIKey is PLMBHJGBTONQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-12-35(13-3-1)43-20-10-22-46-47-23-11-24-48(52(47)55-51(43)46)53(38-30-26-36(27-31-38)41-18-8-15-34-14-4-5-16-40(34)41)39-32-28-37(29-33-39)42-19-9-21-45-44-17-6-7-25-49(44)54-50(42)45/h1-33H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine has a molecular weight of 719.91 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 167397414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).