N,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine

C62H46N2 — CID 121384299

IUPACN,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine
SMILESC1=C(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)c5ccccc45)cc3)cc2)CCC(N(c2ccccc2)c2ccc(-c3ccccc3)c3ccccc23)=C1
InChIInChI=1S/C62H46N2/c1-5-17-49(18-6-1)55-41-43-61(59-27-15-13-25-57(55)59)63(51-21-9-3-10-22-51)53-37-33-47(34-38-53)45-29-31-46(32-30-45)48-35-39-54(40-36-48)64(52-23-11-4-12-24-52)62-44-42-56(50-19-7-2-8-20-50)58-26-14-16-28-60(58)62/h1-35,37-39,41-44H,36,40H2
InChIKeyBNJQNYXNIKXSNX-UHFFFAOYSA-N
MW819.06 g/mol
LogP17.36
Rot. Bonds10

About N,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine

N,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine (PubChem CID 121384299) has the molecular formula C62H46N2 and a molecular weight of 819.06 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine
PubChem CID121384299
Molecular FormulaC62H46N2
Molecular Weight819.06 g/mol
Exact Mass818.37
IUPAC NameN,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine
SMILESC1=C(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)c5ccccc45)cc3)cc2)CCC(N(c2ccccc2)c2ccc(-c3ccccc3)c3ccccc23)=C1
InChIInChI=1S/C62H46N2/c1-5-17-49(18-6-1)55-41-43-61(59-27-15-13-25-57(55)59)63(51-21-9-3-10-22-51)53-37-33-47(34-38-53)45-29-31-46(32-30-45)48-35-39-54(40-36-48)64(52-23-11-4-12-24-52)62-44-42-56(50-19-7-2-8-20-50)58-26-14-16-28-60(58)62/h1-35,37-39,41-44H,36,40H2
InChIKeyBNJQNYXNIKXSNX-UHFFFAOYSA-N
XLogP17.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.06
LogP ≤ 517.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-4-[4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 156569222
1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 89035334
ethane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-N-phenylnaphthalen-1-amine
CID 145000918
N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 143462430
N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352916
N-[3-(3,5-diphenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 166974675
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-triphenylsilylphenyl)naphthalen-1-amine
CID 123242691
4-(4-anilinophenyl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 59181360
N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352637
N-(9,9-dimethyl-6-phenylfluoren-3-yl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)phenanthren-9-amine
CID 168730378
4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde
CID 88863583
9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine
CID 89151841

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine?
The IUPAC name of N,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine (CID 121384299) is N,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine.
What is the SMILES notation for N,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine?
The canonical SMILES for N,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine is C1=C(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)c5ccccc45)cc3)cc2)CCC(N(c2ccccc2)c2ccc(-c3ccccc3)c3ccccc23)=C1.
What is the InChIKey of N,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine?
The InChIKey is BNJQNYXNIKXSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2/c1-5-17-49(18-6-1)55-41-43-61(59-27-15-13-25-57(55)59)63(51-21-9-3-10-22-51)53-37-33-47(34-38-53)45-29-31-46(32-30-45)48-35-39-54(40-36-48)64(52-23-11-4-12-24-52)62-44-42-56(50-19-7-2-8-20-50)58-26-14-16-28-60(58)62/h1-35,37-39,41-44H,36,40H2.
What are the key properties of N,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine?
N,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine has a molecular weight of 819.06 g/mol, XLogP of 17.36, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine is sourced from PubChem (CID 121384299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).