N-[(1Z,3Z)-hexa-1,3,5-trienyl]-N-[4-[4-(N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine

C47H42N2 — CID 144730353

IUPACN-[(1Z,3Z)-hexa-1,3,5-trienyl]-N-[4-[4-(N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine
SMILESC=C/C=C\C=C/N(C1=CCC(c2ccc(N(c3ccccc3)c3ccc(C4=CC=C(C)CC4)cc3)cc2)C=C1)c1cccc2ccccc12
InChIInChI=1S/C47H42N2/c1-3-4-5-11-35-48(47-18-12-14-41-13-9-10-17-46(41)47)42-29-23-38(24-30-42)40-27-33-45(34-28-40)49(43-15-7-6-8-16-43)44-31-25-39(26-32-44)37-21-19-36(2)20-22-37/h3-19,21,23,25-35,38H,1,20,22,24H2,2H3/b5-4-,35-11-
InChIKeyJGSQAVJJGHCBQM-DYECFBSKSA-N
MW634.87 g/mol
LogP13.12
Rot. Bonds10

About N-[(1Z,3Z)-hexa-1,3,5-trienyl]-N-[4-[4-(N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine

N-[(1Z,3Z)-hexa-1,3,5-trienyl]-N-[4-[4-(N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine (PubChem CID 144730353) has the molecular formula C47H42N2 and a molecular weight of 634.87 g/mol. Its IUPAC name is N-[(1Z,3Z)-hexa-1,3,5-trienyl]-N-[4-[4-(N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[(1Z,3Z)-hexa-1,3,5-trienyl]-N-[4-[4-(N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine
PubChem CID144730353
Molecular FormulaC47H42N2
Molecular Weight634.87 g/mol
Exact Mass634.33
IUPAC NameN-[(1Z,3Z)-hexa-1,3,5-trienyl]-N-[4-[4-(N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine
SMILESC=C/C=C\C=C/N(C1=CCC(c2ccc(N(c3ccccc3)c3ccc(C4=CC=C(C)CC4)cc3)cc2)C=C1)c1cccc2ccccc12
InChIInChI=1S/C47H42N2/c1-3-4-5-11-35-48(47-18-12-14-41-13-9-10-17-46(41)47)42-29-23-38(24-30-42)40-27-33-45(34-28-40)49(43-15-7-6-8-16-43)44-31-25-39(26-32-44)37-21-19-36(2)20-22-37/h3-19,21,23,25-35,38H,1,20,22,24H2,2H3/b5-4-,35-11-
InChIKeyJGSQAVJJGHCBQM-DYECFBSKSA-N
XLogP13.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.87
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89062291
ethane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-N-phenylnaphthalen-1-amine
CID 145000918
N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline
CID 118554549
N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 144582985
N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline
CID 166723421
9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine
CID 121321577
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
4-[4-[[4-[(2E,4Z)-octa-2,4,7-trien-2-yl]cyclohexa-1,3-dien-1-yl]-(4-phenylcyclohex-3-en-1-yl)amino]cyclohexa-1,3-dien-1-yl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)aniline
CID 167056660
N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine
CID 143258012
N-[4-[4-[4-[4-(N-(2-ethenyl-3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 166682523
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
N-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 143619876

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-hexa-1,3,5-trienyl]-N-[4-[4-(N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine?
The IUPAC name of N-[(1Z,3Z)-hexa-1,3,5-trienyl]-N-[4-[4-(N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine (CID 144730353) is N-[(1Z,3Z)-hexa-1,3,5-trienyl]-N-[4-[4-(N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine.
What is the SMILES notation for N-[(1Z,3Z)-hexa-1,3,5-trienyl]-N-[4-[4-(N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine?
The canonical SMILES for N-[(1Z,3Z)-hexa-1,3,5-trienyl]-N-[4-[4-(N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine is C=C/C=C\C=C/N(C1=CCC(c2ccc(N(c3ccccc3)c3ccc(C4=CC=C(C)CC4)cc3)cc2)C=C1)c1cccc2ccccc12.
What is the InChIKey of N-[(1Z,3Z)-hexa-1,3,5-trienyl]-N-[4-[4-(N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine?
The InChIKey is JGSQAVJJGHCBQM-DYECFBSKSA-N. The full InChI is InChI=1S/C47H42N2/c1-3-4-5-11-35-48(47-18-12-14-41-13-9-10-17-46(41)47)42-29-23-38(24-30-42)40-27-33-45(34-28-40)49(43-15-7-6-8-16-43)44-31-25-39(26-32-44)37-21-19-36(2)20-22-37/h3-19,21,23,25-35,38H,1,20,22,24H2,2H3/b5-4-,35-11-.
What are the key properties of N-[(1Z,3Z)-hexa-1,3,5-trienyl]-N-[4-[4-(N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine?
N-[(1Z,3Z)-hexa-1,3,5-trienyl]-N-[4-[4-(N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine has a molecular weight of 634.87 g/mol, XLogP of 13.12, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-hexa-1,3,5-trienyl]-N-[4-[4-(N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine is sourced from PubChem (CID 144730353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).