N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine

C78H48N2OS3 — CID 164934340

IUPACN-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)oc4cccc(N(c6ccccc6)c6ccc7sc8ccccc8c7c6)c45)ccc3N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)sc3ccccc34)c2)cc1
InChIInChI=1S/C78H48N2OS3/c1-3-15-49(16-4-1)51-17-13-18-55(43-51)65-44-53(54-31-38-64-71(46-54)81-70-25-14-24-69(78(64)70)80(56-19-5-2-6-20-56)58-37-42-76-67(47-58)62-23-9-12-28-74(62)83-76)32-40-68(65)79(59-36-39-63-60-21-7-10-26-72(60)84-77(63)48-59)57-34-29-50(30-35-57)52-33-41-75-66(45-52)61-22-8-11-27-73(61)82-75/h1-48H
InChIKeyDEZBNXRLOUDCJS-UHFFFAOYSA-N
MW1125.46 g/mol
LogP24.30
Rot. Bonds10

About N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine

N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine (PubChem CID 164934340) has the molecular formula C78H48N2OS3 and a molecular weight of 1125.46 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine
PubChem CID164934340
Molecular FormulaC78H48N2OS3
Molecular Weight1125.46 g/mol
Exact Mass1124.29
IUPAC NameN-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)oc4cccc(N(c6ccccc6)c6ccc7sc8ccccc8c7c6)c45)ccc3N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)sc3ccccc34)c2)cc1
InChIInChI=1S/C78H48N2OS3/c1-3-15-49(16-4-1)51-17-13-18-55(43-51)65-44-53(54-31-38-64-71(46-54)81-70-25-14-24-69(78(64)70)80(56-19-5-2-6-20-56)58-37-42-76-67(47-58)62-23-9-12-28-74(62)83-76)32-40-68(65)79(59-36-39-63-60-21-7-10-26-72(60)84-77(63)48-59)57-34-29-50(30-35-57)52-33-41-75-66(45-52)61-22-8-11-27-73(61)82-75/h1-48H
InChIKeyDEZBNXRLOUDCJS-UHFFFAOYSA-N
XLogP24.30
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.46
LogP ≤ 524.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-dibenzothiophen-2-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 155122836
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-1-amine
CID 164950019
N-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170383494
4-(3-dibenzofuran-3-ylphenyl)-N-dibenzothiophen-2-yl-N-phenyldibenzothiophen-1-amine
CID 176824666
N-(4-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158074871
8-[2-[3-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(9,9-dimethylfluoren-3-yl)dibenzofuran-1-amine;N-(3-dibenzofuran-3-ylphenyl)-7-[2-[2-[4-(4-dibenzothiophen-2-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine
CID 167602152
N-(3-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186779
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186592
4-[7-(3-dibenzofuran-3-ylphenyl)dibenzothiophen-2-yl]-N,N-diphenylaniline
CID 90076355
N-dibenzothiophen-2-yl-N-phenyl-8-[4-[2-(N-phenylanilino)phenyl]phenyl]dibenzofuran-3-amine
CID 155172831
N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 159845485
N-(4-dibenzothiophen-2-ylphenyl)-8-[9-(N-phenylanilino)dibenzofuran-3-yl]-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-9-[3-[2-(N-phenylanilino)phenyl]phenyl]dibenzothiophen-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-9-[4-[2-(N-phenylanilino)phenyl]phenyl]dibenzothiophen-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyl-9-[3-[3-[2-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzothiophen-1-amine
CID 167591445

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine?
The IUPAC name of N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine (CID 164934340) is N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine is c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)oc4cccc(N(c6ccccc6)c6ccc7sc8ccccc8c7c6)c45)ccc3N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)sc3ccccc34)c2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine?
The InChIKey is DEZBNXRLOUDCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N2OS3/c1-3-15-49(16-4-1)51-17-13-18-55(43-51)65-44-53(54-31-38-64-71(46-54)81-70-25-14-24-69(78(64)70)80(56-19-5-2-6-20-56)58-37-42-76-67(47-58)62-23-9-12-28-74(62)83-76)32-40-68(65)79(59-36-39-63-60-21-7-10-26-72(60)84-77(63)48-59)57-34-29-50(30-35-57)52-33-41-75-66(45-52)61-22-8-11-27-73(61)82-75/h1-48H.
What are the key properties of N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine?
N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine has a molecular weight of 1125.46 g/mol, XLogP of 24.30, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine is sourced from PubChem (CID 164934340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).