N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine

C34H23NS — CID 167324291

IUPACN-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C34H23NS/c1-2-13-26(14-3-1)35(28-20-21-32-31-17-6-7-19-33(31)36-34(32)23-28)27-15-8-12-25(22-27)30-18-9-11-24-10-4-5-16-29(24)30/h1-23H
InChIKeyZZRBIRQZDGBSMI-UHFFFAOYSA-N
MW477.63 g/mol
LogP10.34
Rot. Bonds4

About N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine

N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine (PubChem CID 167324291) has the molecular formula C34H23NS and a molecular weight of 477.63 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
PubChem CID167324291
Molecular FormulaC34H23NS
Molecular Weight477.63 g/mol
Exact Mass477.16
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C34H23NS/c1-2-13-26(14-3-1)35(28-20-21-32-31-17-6-7-19-33(31)36-34(32)23-28)27-15-8-12-25(22-27)30-18-9-11-24-10-4-5-16-29(24)30/h1-23H
InChIKeyZZRBIRQZDGBSMI-UHFFFAOYSA-N
XLogP10.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.63
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine
CID 170272717
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 139355163
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
N-(3-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502469
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
2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325670
N-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 168846117
3-dibenzothiophen-4-yl-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 168766727
N-chrysen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 170130743
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326325

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine (CID 167324291) is N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine is c1ccc(N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine?
The InChIKey is ZZRBIRQZDGBSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NS/c1-2-13-26(14-3-1)35(28-20-21-32-31-17-6-7-19-33(31)36-34(32)23-28)27-15-8-12-25(22-27)30-18-9-11-24-10-4-5-16-29(24)30/h1-23H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine?
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine has a molecular weight of 477.63 g/mol, XLogP of 10.34, 4 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-phenyldibenzothiophen-3-amine is sourced from PubChem (CID 167324291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).