N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine

C44H34N2S — CID 168810720

IUPACN-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine
SMILESCC(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C44H34N2S/c1-32(33-24-28-38(29-25-33)45(35-14-5-2-6-15-35)36-16-7-3-8-17-36)34-26-30-39(31-27-34)46(37-18-9-4-10-19-37)42-22-13-21-41-40-20-11-12-23-43(40)47-44(41)42/h2-32H,1H3
InChIKeyOQHVBQIEOFCYCV-UHFFFAOYSA-N
MW622.84 g/mol
LogP13.15
Rot. Bonds8

About N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine

N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine (PubChem CID 168810720) has the molecular formula C44H34N2S and a molecular weight of 622.84 g/mol. Its IUPAC name is N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine
PubChem CID168810720
Molecular FormulaC44H34N2S
Molecular Weight622.84 g/mol
Exact Mass622.24
IUPAC NameN-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine
SMILESCC(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C44H34N2S/c1-32(33-24-28-38(29-25-33)45(35-14-5-2-6-15-35)36-16-7-3-8-17-36)34-26-30-39(31-27-34)46(37-18-9-4-10-19-37)42-22-13-21-41-40-20-11-12-23-43(40)47-44(41)42/h2-32H,1H3
InChIKeyOQHVBQIEOFCYCV-UHFFFAOYSA-N
XLogP13.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.84
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-(3-chlorophenyl)-N-phenyldibenzothiophen-4-amine
CID 134198312
N-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 121327886
N-chrysen-2-yl-N-phenyldibenzothiophen-4-amine
CID 170130330
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine
CID 153299777
3-N-[4-(N-[8-[3-(N-[3-(N-[4-(N-dibenzothiophen-4-ylanilino)phenyl]anilino)phenyl]anilino)phenyl]dibenzothiophen-2-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 163460336
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
9-chloro-N,N-diphenyldibenzothiophen-4-amine
CID 139422397
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
6-N-dibenzothiophen-3-yl-4-N,4-N-diphenyl-6-N-(4-phenylphenyl)dibenzothiophene-4,6-diamine
CID 146576004

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine (CID 168810720) is N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine is CC(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine?
The InChIKey is OQHVBQIEOFCYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2S/c1-32(33-24-28-38(29-25-33)45(35-14-5-2-6-15-35)36-16-7-3-8-17-36)34-26-30-39(31-27-34)46(37-18-9-4-10-19-37)42-22-13-21-41-40-20-11-12-23-43(40)47-44(41)42/h2-32H,1H3.
What are the key properties of N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine?
N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine has a molecular weight of 622.84 g/mol, XLogP of 13.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 168810720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).