N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine

C48H33NS — CID 155122859

IUPACN-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4sc4ccccc45)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C48H33NS/c1-4-13-34(14-5-1)36-23-25-38(26-24-36)40-29-32-45(44(33-40)39-17-8-3-9-18-39)49(41-30-27-37(28-31-41)35-15-6-2-7-16-35)46-21-12-20-43-42-19-10-11-22-47(42)50-48(43)46/h1-33H
InChIKeySELLXYIDLUNNOX-UHFFFAOYSA-N
MW655.87 g/mol
LogP14.19
Rot. Bonds7

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

N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 155122859) has the molecular formula C48H33NS and a molecular weight of 655.87 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID155122859
Molecular FormulaC48H33NS
Molecular Weight655.87 g/mol
Exact Mass655.23
IUPAC NameN-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4sc4ccccc45)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C48H33NS/c1-4-13-34(14-5-1)36-23-25-38(26-24-36)40-29-32-45(44(33-40)39-17-8-3-9-18-39)49(41-30-27-37(28-31-41)35-15-6-2-7-16-35)46-21-12-20-43-42-19-10-11-22-47(42)50-48(43)46/h1-33H
InChIKeySELLXYIDLUNNOX-UHFFFAOYSA-N
XLogP14.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.87
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-(4-phenylnaphthalen-1-yl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605730
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine
CID 153299777
N-[3-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086291
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine
CID 118214636
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 164831950
N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-4-amine
CID 122675244
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172502003
N-(4-phenylnaphthalen-1-yl)-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 158866237

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 155122859) is N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4sc4ccccc45)c(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is SELLXYIDLUNNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NS/c1-4-13-34(14-5-1)36-23-25-38(26-24-36)40-29-32-45(44(33-40)39-17-8-3-9-18-39)49(41-30-27-37(28-31-41)35-15-6-2-7-16-35)46-21-12-20-43-42-19-10-11-22-47(42)50-48(43)46/h1-33H.
What are the key properties of N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine?
N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine has a molecular weight of 655.87 g/mol, XLogP of 14.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 155122859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).