N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine

C52H35NS — CID 168791000

IUPACN-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-c3cccc4ccccc34)c2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C52H35NS/c1-3-17-36(18-4-1)42-26-9-10-28-46(42)51-44(38-19-5-2-6-20-38)30-15-32-48(51)53(49-33-16-31-47-45-27-11-12-34-50(45)54-52(47)49)40-24-13-23-39(35-40)43-29-14-22-37-21-7-8-25-41(37)43/h1-35H
InChIKeySKVKLEGGCUGEKA-UHFFFAOYSA-N
MW705.93 g/mol
LogP15.35
Rot. Bonds7

About N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine

N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 168791000) has the molecular formula C52H35NS and a molecular weight of 705.93 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID168791000
Molecular FormulaC52H35NS
Molecular Weight705.93 g/mol
Exact Mass705.25
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-c3cccc4ccccc34)c2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C52H35NS/c1-3-17-36(18-4-1)42-26-9-10-28-46(42)51-44(38-19-5-2-6-20-38)30-15-32-48(51)53(49-33-16-31-47-45-27-11-12-34-50(45)54-52(47)49)40-24-13-23-39(35-40)43-29-14-22-37-21-7-8-25-41(37)43/h1-35H
InChIKeySKVKLEGGCUGEKA-UHFFFAOYSA-N
XLogP15.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.93
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-phenylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164744415
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790646
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397362
N-(4-phenanthren-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789429
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168790008
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168790748
N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172500806
N-(4-naphthalen-1-ylphenyl)-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605660
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718869
N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 167086408
N-[4-(8-phenylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 176590511
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789332

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 168791000) is N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2cccc(-c3cccc4ccccc34)c2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is SKVKLEGGCUGEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NS/c1-3-17-36(18-4-1)42-26-9-10-28-46(42)51-44(38-19-5-2-6-20-38)30-15-32-48(51)53(49-33-16-31-47-45-27-11-12-34-50(45)54-52(47)49)40-24-13-23-39(35-40)43-29-14-22-37-21-7-8-25-41(37)43/h1-35H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine?
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine has a molecular weight of 705.93 g/mol, XLogP of 15.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 168791000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).