4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine

C70H57N3 — CID 139566458

IUPAC4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine
SMILESC1=C(N(c2ccc(CCC(Cc3ccccc3)c3ccc4ccccc4c3)cc2)c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)CCC(N(c2ccccc2)c2ccc3ccccc3c2)=C1
InChIInChI=1S/C70H57N3/c1-4-16-53(17-5-1)48-60(61-33-32-54-18-10-13-21-57(54)49-61)31-28-52-29-36-64(37-30-52)71(65-40-44-67(45-41-65)72(62-24-6-2-7-25-62)69-38-34-55-19-11-14-22-58(55)50-69)66-42-46-68(47-43-66)73(63-26-8-3-9-27-63)70-39-35-56-20-12-15-23-59(56)51-70/h1-27,29-30,32-42,44-46,49-51,60H,28,31,43,47-48H2
InChIKeyVDPUSCZHRHXNPR-UHFFFAOYSA-N
MW940.25 g/mol
LogP19.11
Rot. Bonds15

About 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine

4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine (PubChem CID 139566458) has the molecular formula C70H57N3 and a molecular weight of 940.25 g/mol. Its IUPAC name is 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine
PubChem CID139566458
Molecular FormulaC70H57N3
Molecular Weight940.25 g/mol
Exact Mass939.46
IUPAC Name4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine
SMILESC1=C(N(c2ccc(CCC(Cc3ccccc3)c3ccc4ccccc4c3)cc2)c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)CCC(N(c2ccccc2)c2ccc3ccccc3c2)=C1
InChIInChI=1S/C70H57N3/c1-4-16-53(17-5-1)48-60(61-33-32-54-18-10-13-21-57(54)49-61)31-28-52-29-36-64(37-30-52)71(65-40-44-67(45-41-65)72(62-24-6-2-7-25-62)69-38-34-55-19-11-14-22-58(55)50-69)66-42-46-68(47-43-66)73(63-26-8-3-9-27-63)70-39-35-56-20-12-15-23-59(56)51-70/h1-27,29-30,32-42,44-46,49-51,60H,28,31,43,47-48H2
InChIKeyVDPUSCZHRHXNPR-UHFFFAOYSA-N
XLogP19.11
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.25
LogP ≤ 519.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine with MolForge

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Related Compounds

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CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
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CID 23561857
(2S)-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine;hydrochloride
CID 68735780
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794

Frequently Asked Questions

What is the IUPAC name of 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine (CID 139566458) is 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine is C1=C(N(c2ccc(CCC(Cc3ccccc3)c3ccc4ccccc4c3)cc2)c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)CCC(N(c2ccccc2)c2ccc3ccccc3c2)=C1.
What is the InChIKey of 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine?
The InChIKey is VDPUSCZHRHXNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H57N3/c1-4-16-53(17-5-1)48-60(61-33-32-54-18-10-13-21-57(54)49-61)31-28-52-29-36-64(37-30-52)71(65-40-44-67(45-41-65)72(62-24-6-2-7-25-62)69-38-34-55-19-11-14-22-58(55)50-69)66-42-46-68(47-43-66)73(63-26-8-3-9-27-63)70-39-35-56-20-12-15-23-59(56)51-70/h1-27,29-30,32-42,44-46,49-51,60H,28,31,43,47-48H2.
What are the key properties of 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine?
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine has a molecular weight of 940.25 g/mol, XLogP of 19.11, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)cyclohexa-1,3-dien-1-yl]-1-N-[4-(3-naphthalen-2-yl-4-phenylbutyl)phenyl]-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 139566458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).