N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline

C52H35NS — CID 135277607

IUPACN-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5sc6ccccc6c5cc4-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C52H35NS/c1-3-12-36(13-4-1)37-22-28-42(29-23-37)53(43-30-24-40(25-31-43)46-20-11-17-38-16-7-8-18-45(38)46)44-32-26-41(27-33-44)49-35-52-50(47-19-9-10-21-51(47)54-52)34-48(49)39-14-5-2-6-15-39/h1-35H
InChIKeyNCETWSKKNFLFTI-UHFFFAOYSA-N
MW705.93 g/mol
LogP15.35
Rot. Bonds7

About N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline

N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline (PubChem CID 135277607) has the molecular formula C52H35NS and a molecular weight of 705.93 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
PubChem CID135277607
Molecular FormulaC52H35NS
Molecular Weight705.93 g/mol
Exact Mass705.25
IUPAC NameN-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5sc6ccccc6c5cc4-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C52H35NS/c1-3-12-36(13-4-1)37-22-28-42(29-23-37)53(43-30-24-40(25-31-43)46-20-11-17-38-16-7-8-18-45(38)46)44-32-26-41(27-33-44)49-35-52-50(47-19-9-10-21-51(47)54-52)34-48(49)39-14-5-2-6-15-39/h1-35H
InChIKeyNCETWSKKNFLFTI-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

4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 135277463
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 139355163
N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 135277605
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167326162
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167324520
N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline
CID 168846083
3-dibenzothiophen-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767039
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291
3-(8-deuteriodibenzothiophen-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168766928
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167236356

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline (CID 135277607) is N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4cc5sc6ccccc6c5cc4-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline?
The InChIKey is NCETWSKKNFLFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NS/c1-3-12-36(13-4-1)37-22-28-42(29-23-37)53(43-30-24-40(25-31-43)46-20-11-17-38-16-7-8-18-45(38)46)44-32-26-41(27-33-44)49-35-52-50(47-19-9-10-21-51(47)54-52)34-48(49)39-14-5-2-6-15-39/h1-35H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline?
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline 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-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline is sourced from PubChem (CID 135277607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).