N-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine

C44H36N2 — CID 123939537

IUPACN-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine
SMILESC1=CC(N(c2ccccc2)c2cccc3ccccc23)CC=C1C1C=CC(N(c2ccccc2)c2cccc3ccccc23)=CC1
InChIInChI=1S/C44H36N2/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-27,29,31-32,34,39H,28,30H2
InChIKeyYOZJVOZSDKBEPM-UHFFFAOYSA-N
MW592.79 g/mol
LogP11.68
Rot. Bonds7

About N-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine

N-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine (PubChem CID 123939537) has the molecular formula C44H36N2 and a molecular weight of 592.79 g/mol. Its IUPAC name is N-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine
PubChem CID123939537
Molecular FormulaC44H36N2
Molecular Weight592.79 g/mol
Exact Mass592.29
IUPAC NameN-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine
SMILESC1=CC(N(c2ccccc2)c2cccc3ccccc23)CC=C1C1C=CC(N(c2ccccc2)c2cccc3ccccc23)=CC1
InChIInChI=1S/C44H36N2/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-27,29,31-32,34,39H,28,30H2
InChIKeyYOZJVOZSDKBEPM-UHFFFAOYSA-N
XLogP11.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.79
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)naphthalen-1-amine
CID 135299557
3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline
CID 166906979
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]aniline
CID 155307171
N,N-diphenylnaphthalen-1-amine
CID 11392281
1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine
CID 143543464
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine
CID 166714044
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohex-3-en-1-yl]-N-phenylnaphthalen-1-amine
CID 71206206
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 134504581
N-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine
CID 143570887

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine (CID 123939537) is N-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine is C1=CC(N(c2ccccc2)c2cccc3ccccc23)CC=C1C1C=CC(N(c2ccccc2)c2cccc3ccccc23)=CC1.
What is the InChIKey of N-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine?
The InChIKey is YOZJVOZSDKBEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44/h1-27,29,31-32,34,39H,28,30H2.
What are the key properties of N-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine?
N-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine has a molecular weight of 592.79 g/mol, XLogP of 11.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 123939537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).