N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine

C48H31NS — CID 148725515

IUPACN-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccccc3-c3cccc4c3sc3ccccc34)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C48H31NS/c1-2-13-33(14-3-1)49(35-29-30-42-40-19-7-6-17-38(40)39-18-8-9-20-41(39)46(42)31-35)34-27-25-32(26-28-34)36-15-4-5-16-37(36)44-22-12-23-45-43-21-10-11-24-47(43)50-48(44)45/h1-31H
InChIKeyNZXXYXAYCNFPEB-UHFFFAOYSA-N
MW653.85 g/mol
LogP14.32
Rot. Bonds5

About N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine

N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine (PubChem CID 148725515) has the molecular formula C48H31NS and a molecular weight of 653.85 g/mol. Its IUPAC name is N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine.

Molecular Properties

Compound NameN-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine
PubChem CID148725515
Molecular FormulaC48H31NS
Molecular Weight653.85 g/mol
Exact Mass653.22
IUPAC NameN-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccccc3-c3cccc4c3sc3ccccc34)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C48H31NS/c1-2-13-33(14-3-1)49(35-29-30-42-40-19-7-6-17-38(40)39-18-8-9-20-41(39)46(42)31-35)34-27-25-32(26-28-34)36-15-4-5-16-37(36)44-22-12-23-45-43-21-10-11-24-47(43)50-48(44)45/h1-31H
InChIKeyNZXXYXAYCNFPEB-UHFFFAOYSA-N
XLogP14.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.85
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 129129842
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline;4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 158485457
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605050
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 154960998
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 59022060
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]tetraphenylen-2-amine
CID 139297752
4-[4-(N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-triphenylen-2-ylanilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline;4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline
CID 160646812
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine?
The IUPAC name of N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine (CID 148725515) is N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine.
What is the SMILES notation for N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine?
The canonical SMILES for N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine is c1ccc(N(c2ccc(-c3ccccc3-c3cccc4c3sc3ccccc34)cc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine?
The InChIKey is NZXXYXAYCNFPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NS/c1-2-13-33(14-3-1)49(35-29-30-42-40-19-7-6-17-38(40)39-18-8-9-20-41(39)46(42)31-35)34-27-25-32(26-28-34)36-15-4-5-16-37(36)44-22-12-23-45-43-21-10-11-24-47(43)50-48(44)45/h1-31H.
What are the key properties of N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine?
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine has a molecular weight of 653.85 g/mol, XLogP of 14.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-N-phenyltriphenylen-2-amine is sourced from PubChem (CID 148725515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).