N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine

C66H43NS — CID 169062517

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccccc4-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)ccc3c2)cc1
InChIInChI=1S/C66H43NS/c1-4-17-44(18-5-1)48-31-32-50-42-53(39-35-49(50)41-48)67(52-37-33-45(34-38-52)55-27-16-28-60-58-25-13-15-30-63(58)68-66(55)60)62-29-14-12-23-54(62)51-36-40-57-56-24-10-11-26-59(56)64(46-19-6-2-7-20-46)65(61(57)43-51)47-21-8-3-9-22-47/h1-43H
InChIKeyNJZHRTHYDDTARI-UHFFFAOYSA-N
MW882.14 g/mol
LogP19.32
Rot. Bonds8

About N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine

N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine (PubChem CID 169062517) has the molecular formula C66H43NS and a molecular weight of 882.14 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine
PubChem CID169062517
Molecular FormulaC66H43NS
Molecular Weight882.14 g/mol
Exact Mass881.31
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccccc4-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)ccc3c2)cc1
InChIInChI=1S/C66H43NS/c1-4-17-44(18-5-1)48-31-32-50-42-53(39-35-49(50)41-48)67(52-37-33-45(34-38-52)55-27-16-28-60-58-25-13-15-30-63(58)68-66(55)60)62-29-14-12-23-54(62)51-36-40-57-56-24-10-11-26-59(56)64(46-19-6-2-7-20-46)65(61(57)43-51)47-21-8-3-9-22-47/h1-43H
InChIKeyNJZHRTHYDDTARI-UHFFFAOYSA-N
XLogP19.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.14
LogP ≤ 519.32
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-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline
CID 169063836
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064173
N-(3-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064842
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine
CID 169064136
N-(3-dibenzothiophen-4-ylphenyl)-2-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 169062575
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-phenylaniline
CID 169065539
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine
CID 169062758
N-(3-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]naphthalen-1-amine
CID 169063967
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063761
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-(4-phenylphenyl)aniline
CID 158744842
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 167397512
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline
CID 169065383

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine (CID 169062517) is N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine is c1ccc(-c2ccc3cc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccccc4-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)ccc3c2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine?
The InChIKey is NJZHRTHYDDTARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43NS/c1-4-17-44(18-5-1)48-31-32-50-42-53(39-35-49(50)41-48)67(52-37-33-45(34-38-52)55-27-16-28-60-58-25-13-15-30-63(58)68-66(55)60)62-29-14-12-23-54(62)51-36-40-57-56-24-10-11-26-59(56)64(46-19-6-2-7-20-46)65(61(57)43-51)47-21-8-3-9-22-47/h1-43H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine?
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine has a molecular weight of 882.14 g/mol, XLogP of 19.32, 8 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-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine is sourced from PubChem (CID 169062517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).