N-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine

C58H44N2 — CID 70991836

IUPACN-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6c(c4)CCc4cc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cc(c4-6)CC5)cc3)cc2)cc1
InChIInChI=1S/C58H44N2/c1-5-13-41(14-6-1)43-25-31-53(32-26-43)59(51-17-9-3-10-18-51)54-35-29-45(30-36-54)50-37-46-21-23-48-39-56(40-49-24-22-47(38-50)57(46)58(48)49)60(52-19-11-4-12-20-52)55-33-27-44(28-34-55)42-15-7-2-8-16-42/h1-20,25-40H,21-24H2
InChIKeyODPYGDARHMAUOP-UHFFFAOYSA-N
MW769.00 g/mol
LogP15.49
Rot. Bonds9

About N-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine

N-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine (PubChem CID 70991836) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine
PubChem CID70991836
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC NameN-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6c(c4)CCc4cc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cc(c4-6)CC5)cc3)cc2)cc1
InChIInChI=1S/C58H44N2/c1-5-13-41(14-6-1)43-25-31-53(32-26-43)59(51-17-9-3-10-18-51)54-35-29-45(30-36-54)50-37-46-21-23-48-39-56(40-49-24-22-47(38-50)57(46)58(48)49)60(52-19-11-4-12-20-52)55-33-27-44(28-34-55)42-15-7-2-8-16-42/h1-20,25-40H,21-24H2
InChIKeyODPYGDARHMAUOP-UHFFFAOYSA-N
XLogP15.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-2-yl-7-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]-N-(4-phenylphenyl)-4,5,9,10-tetrahydropyren-2-amine
CID 70991866
N-[4-[4-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]phenyl]phenyl]-N,3,5-triphenylaniline;3,5-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N,3,5-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159721159
N,N-diphenyl-4-[3-phenyl-5-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 121368277
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine (CID 70991836) is N-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6c(c4)CCc4cc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)cc(c4-6)CC5)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine?
The InChIKey is ODPYGDARHMAUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-5-13-41(14-6-1)43-25-31-53(32-26-43)59(51-17-9-3-10-18-51)54-35-29-45(30-36-54)50-37-46-21-23-48-39-56(40-49-24-22-47(38-50)57(46)58(48)49)60(52-19-11-4-12-20-52)55-33-27-44(28-34-55)42-15-7-2-8-16-42/h1-20,25-40H,21-24H2.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine?
N-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine has a molecular weight of 769.00 g/mol, XLogP of 15.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine is sourced from PubChem (CID 70991836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).