N-[4-[(E)-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)hydrazinylidene]methyl]phenyl]-N-(2,2-diphenylethenyl)-5,6,7,8-tetrahydronaphthalen-1-amine

C43H41N3 — CID 131994960

IUPACN-[4-[(E)-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)hydrazinylidene]methyl]phenyl]-N-(2,2-diphenylethenyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESC1=CCCC(N(/N=C/c2ccc(N(C=C(c3ccccc3)c3ccccc3)c3cccc4c3CCCC4)cc2)C2=CCCC=C2)=C1
InChIInChI=1S/C43H41N3/c1-5-16-36(17-6-1)42(37-18-7-2-8-19-37)33-45(43-27-15-21-35-20-13-14-26-41(35)43)38-30-28-34(29-31-38)32-44-46(39-22-9-3-10-23-39)40-24-11-4-12-25-40/h1-3,5-9,11,15-19,21-22,24-25,27-33H,4,10,12-14,20,23,26H2/b44-32+
InChIKeyUDPRYKSYHFCUKW-CMXZEOLJSA-N
MW599.82 g/mol
LogP10.90
Rot. Bonds9

About N-[4-[(E)-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)hydrazinylidene]methyl]phenyl]-N-(2,2-diphenylethenyl)-5,6,7,8-tetrahydronaphthalen-1-amine

N-[4-[(E)-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)hydrazinylidene]methyl]phenyl]-N-(2,2-diphenylethenyl)-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 131994960) has the molecular formula C43H41N3 and a molecular weight of 599.82 g/mol. Its IUPAC name is N-[4-[(E)-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)hydrazinylidene]methyl]phenyl]-N-(2,2-diphenylethenyl)-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[(E)-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)hydrazinylidene]methyl]phenyl]-N-(2,2-diphenylethenyl)-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID131994960
Molecular FormulaC43H41N3
Molecular Weight599.82 g/mol
Exact Mass599.33
IUPAC NameN-[4-[(E)-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)hydrazinylidene]methyl]phenyl]-N-(2,2-diphenylethenyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESC1=CCCC(N(/N=C/c2ccc(N(C=C(c3ccccc3)c3ccccc3)c3cccc4c3CCCC4)cc2)C2=CCCC=C2)=C1
InChIInChI=1S/C43H41N3/c1-5-16-36(17-6-1)42(37-18-7-2-8-19-37)33-45(43-27-15-21-35-20-13-14-26-41(35)43)38-30-28-34(29-31-38)32-44-46(39-22-9-3-10-23-39)40-24-11-4-12-25-40/h1-3,5-9,11,15-19,21-22,24-25,27-33H,4,10,12-14,20,23,26H2/b44-32+
InChIKeyUDPRYKSYHFCUKW-CMXZEOLJSA-N
XLogP10.90
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.82
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)hydrazinylidene]methyl]phenyl]-N-(2,2-diphenylethenyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[4-[(E)-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)hydrazinylidene]methyl]phenyl]-N-(2,2-diphenylethenyl)-5,6,7,8-tetrahydronaphthalen-1-amine (CID 131994960) is N-[4-[(E)-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)hydrazinylidene]methyl]phenyl]-N-(2,2-diphenylethenyl)-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[4-[(E)-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)hydrazinylidene]methyl]phenyl]-N-(2,2-diphenylethenyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[4-[(E)-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)hydrazinylidene]methyl]phenyl]-N-(2,2-diphenylethenyl)-5,6,7,8-tetrahydronaphthalen-1-amine is C1=CCCC(N(/N=C/c2ccc(N(C=C(c3ccccc3)c3ccccc3)c3cccc4c3CCCC4)cc2)C2=CCCC=C2)=C1.
What is the InChIKey of N-[4-[(E)-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)hydrazinylidene]methyl]phenyl]-N-(2,2-diphenylethenyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is UDPRYKSYHFCUKW-CMXZEOLJSA-N. The full InChI is InChI=1S/C43H41N3/c1-5-16-36(17-6-1)42(37-18-7-2-8-19-37)33-45(43-27-15-21-35-20-13-14-26-41(35)43)38-30-28-34(29-31-38)32-44-46(39-22-9-3-10-23-39)40-24-11-4-12-25-40/h1-3,5-9,11,15-19,21-22,24-25,27-33H,4,10,12-14,20,23,26H2/b44-32+.
What are the key properties of N-[4-[(E)-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)hydrazinylidene]methyl]phenyl]-N-(2,2-diphenylethenyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
N-[4-[(E)-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)hydrazinylidene]methyl]phenyl]-N-(2,2-diphenylethenyl)-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 599.82 g/mol, XLogP of 10.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)hydrazinylidene]methyl]phenyl]-N-(2,2-diphenylethenyl)-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 131994960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).