5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine

C70H49N3S — CID 146588762

IUPAC5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)sc5ccccc56)c5ccccc45)cc(N(c4ccccc4)c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C70H49N3S/c1-6-21-50(22-7-1)52-37-39-58(40-38-52)72(57-30-14-5-15-31-57)62-47-54(46-61(48-62)71(55-26-10-3-11-27-55)56-28-12-4-13-29-56)63-43-44-68(65-34-17-16-33-64(63)65)73(59-32-20-25-53(45-59)51-23-8-2-9-24-51)60-41-42-67-66-35-18-19-36-69(66)74-70(67)49-60/h1-49H
InChIKeyBVUQWXIKLHKVBF-UHFFFAOYSA-N
MW964.25 g/mol
LogP20.62
Rot. Bonds12

About 5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine

5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 146588762) has the molecular formula C70H49N3S and a molecular weight of 964.25 g/mol. Its IUPAC name is 5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
PubChem CID146588762
Molecular FormulaC70H49N3S
Molecular Weight964.25 g/mol
Exact Mass963.36
IUPAC Name5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)sc5ccccc56)c5ccccc45)cc(N(c4ccccc4)c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C70H49N3S/c1-6-21-50(22-7-1)52-37-39-58(40-38-52)72(57-30-14-5-15-31-57)62-47-54(46-61(48-62)71(55-26-10-3-11-27-55)56-28-12-4-13-29-56)63-43-44-68(65-34-17-16-33-64(63)65)73(59-32-20-25-53(45-59)51-23-8-2-9-24-51)60-41-42-67-66-35-18-19-36-69(66)74-70(67)49-60/h1-49H
InChIKeyBVUQWXIKLHKVBF-UHFFFAOYSA-N
XLogP20.62
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.25
LogP ≤ 520.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine with MolForge

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Related Compounds

1-N-dibenzothiophen-3-yl-4-N-phenyl-4-N-(4-phenylnaphthalen-1-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177116967
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-3-amine
CID 153299795
N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-phenyldibenzothiophen-3-amine
CID 129085320
5-[4-[dibenzothiophen-3-yl-(9-phenylcarbazol-2-yl)amino]naphthalen-1-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588764
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 71126719
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 171434495
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098532
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 118186818
3-N-(4-dibenzothiophen-3-ylphenyl)-1-N-phenyl-1-N,3-N-bis(4-phenylphenyl)dibenzothiophene-1,3-diamine
CID 177116813

Frequently Asked Questions

What is the IUPAC name of 5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine (CID 146588762) is 5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)sc5ccccc56)c5ccccc45)cc(N(c4ccccc4)c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is BVUQWXIKLHKVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49N3S/c1-6-21-50(22-7-1)52-37-39-58(40-38-52)72(57-30-14-5-15-31-57)62-47-54(46-61(48-62)71(55-26-10-3-11-27-55)56-28-12-4-13-29-56)63-43-44-68(65-34-17-16-33-64(63)65)73(59-32-20-25-53(45-59)51-23-8-2-9-24-51)60-41-42-67-66-35-18-19-36-69(66)74-70(67)49-60/h1-49H.
What are the key properties of 5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine?
5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 964.25 g/mol, XLogP of 20.62, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 146588762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).