N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine

C54H35NS — CID 118214636

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H35NS/c1-3-14-36(15-4-1)39-28-33-52(50(34-39)37-16-5-2-6-17-37)55(41-31-32-47-45-20-8-7-18-43(45)44-19-9-10-21-46(44)51(47)35-41)40-29-26-38(27-30-40)42-23-13-24-49-48-22-11-12-25-53(48)56-54(42)49/h1-35H
InChIKeyKTBSRADFVWISOB-UHFFFAOYSA-N
MW729.95 g/mol
LogP15.98
Rot. Bonds6

About N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine

N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine (PubChem CID 118214636) has the molecular formula C54H35NS and a molecular weight of 729.95 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine
PubChem CID118214636
Molecular FormulaC54H35NS
Molecular Weight729.95 g/mol
Exact Mass729.25
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H35NS/c1-3-14-36(15-4-1)39-28-33-52(50(34-39)37-16-5-2-6-17-37)55(41-31-32-47-45-20-8-7-18-43(45)44-19-9-10-21-46(44)51(47)35-41)40-29-26-38(27-30-40)42-23-13-24-49-48-22-11-12-25-53(48)56-54(42)49/h1-35H
InChIKeyKTBSRADFVWISOB-UHFFFAOYSA-N
XLogP15.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.95
LogP ≤ 515.98
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

N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2,4-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(4-phenylphenyl)aniline
CID 157248341
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 164831950
N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155122859
4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-dibenzothiophen-4-ylphenyl)-N-(4-triphenylen-2-ylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 161489746
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine
CID 88988857
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 164831578
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675309
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
2-[3-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167086686

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine (CID 118214636) is N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine?
The InChIKey is KTBSRADFVWISOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS/c1-3-14-36(15-4-1)39-28-33-52(50(34-39)37-16-5-2-6-17-37)55(41-31-32-47-45-20-8-7-18-43(45)44-19-9-10-21-46(44)51(47)35-41)40-29-26-38(27-30-40)42-23-13-24-49-48-22-11-12-25-53(48)56-54(42)49/h1-35H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine?
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine has a molecular weight of 729.95 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 118214636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).