N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,1-dimethylinden-2-yl)phenyl]-4-phenylaniline

C47H35NS — CID 164744739

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,1-dimethylinden-2-yl)phenyl]-4-phenylaniline
SMILESCC1(C)C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)=Cc2ccccc21
InChIInChI=1S/C47H35NS/c1-47(2)43-17-8-6-13-36(43)31-44(47)35-23-29-39(30-24-35)48(37-25-19-33(20-26-37)32-11-4-3-5-12-32)38-27-21-34(22-28-38)40-15-10-16-42-41-14-7-9-18-45(41)49-46(40)42/h3-31H,1-2H3
InChIKeyYJJLMNSBPUGWMU-UHFFFAOYSA-N
MW645.87 g/mol
LogP13.69
Rot. Bonds6

About N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,1-dimethylinden-2-yl)phenyl]-4-phenylaniline

N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,1-dimethylinden-2-yl)phenyl]-4-phenylaniline (PubChem CID 164744739) has the molecular formula C47H35NS and a molecular weight of 645.87 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,1-dimethylinden-2-yl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,1-dimethylinden-2-yl)phenyl]-4-phenylaniline
PubChem CID164744739
Molecular FormulaC47H35NS
Molecular Weight645.87 g/mol
Exact Mass645.25
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,1-dimethylinden-2-yl)phenyl]-4-phenylaniline
SMILESCC1(C)C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)=Cc2ccccc21
InChIInChI=1S/C47H35NS/c1-47(2)43-17-8-6-13-36(43)31-44(47)35-23-29-39(30-24-35)48(37-25-19-33(20-26-37)32-11-4-3-5-12-32)38-27-21-34(22-28-38)40-15-10-16-42-41-14-7-9-18-45(41)49-46(40)42/h3-31H,1-2H3
InChIKeyYJJLMNSBPUGWMU-UHFFFAOYSA-N
XLogP13.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.87
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline;4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 158485457
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 118193740
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 59022060
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 70808719
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-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022100
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-7-phenylfluoren-2-amine
CID 67964472

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,1-dimethylinden-2-yl)phenyl]-4-phenylaniline?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,1-dimethylinden-2-yl)phenyl]-4-phenylaniline (CID 164744739) is N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,1-dimethylinden-2-yl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,1-dimethylinden-2-yl)phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,1-dimethylinden-2-yl)phenyl]-4-phenylaniline is CC1(C)C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)=Cc2ccccc21.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,1-dimethylinden-2-yl)phenyl]-4-phenylaniline?
The InChIKey is YJJLMNSBPUGWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35NS/c1-47(2)43-17-8-6-13-36(43)31-44(47)35-23-29-39(30-24-35)48(37-25-19-33(20-26-37)32-11-4-3-5-12-32)38-27-21-34(22-28-38)40-15-10-16-42-41-14-7-9-18-45(41)49-46(40)42/h3-31H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,1-dimethylinden-2-yl)phenyl]-4-phenylaniline?
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(1,1-dimethylinden-2-yl)phenyl]-4-phenylaniline has a molecular weight of 645.87 g/mol, XLogP of 13.69, 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-[4-(1,1-dimethylinden-2-yl)phenyl]-4-phenylaniline is sourced from PubChem (CID 164744739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).