(E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine

C34H29N3 — CID 144856610

IUPAC(E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine
SMILESNN/C(=C1/C=CC=CC1c1cc2ccccc2c2ccccc12)c1ccc(/C(N)=C2\C=CC=CC2)cc1
InChIInChI=1S/C34H29N3/c35-33(23-10-2-1-3-11-23)24-18-20-25(21-19-24)34(37-36)31-17-9-8-16-30(31)32-22-26-12-4-5-13-27(26)28-14-6-7-15-29(28)32/h1-10,12-22,30,37H,11,35-36H2/b33-23-,34-31-
InChIKeyQKFCBTITLYFLIE-NOAQBEMQSA-N
MW479.63 g/mol
LogP7.26
Rot. Bonds4

About (E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine

(E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine (PubChem CID 144856610) has the molecular formula C34H29N3 and a molecular weight of 479.63 g/mol. Its IUPAC name is (E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine.

Molecular Properties

Compound Name(E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine
PubChem CID144856610
Molecular FormulaC34H29N3
Molecular Weight479.63 g/mol
Exact Mass479.24
IUPAC Name(E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine
SMILESNN/C(=C1/C=CC=CC1c1cc2ccccc2c2ccccc12)c1ccc(/C(N)=C2\C=CC=CC2)cc1
InChIInChI=1S/C34H29N3/c35-33(23-10-2-1-3-11-23)24-18-20-25(21-19-24)34(37-36)31-17-9-8-16-30(31)32-22-26-12-4-5-13-27(26)28-14-6-7-15-29(28)32/h1-10,12-22,30,37H,11,35-36H2/b33-23-,34-31-
InChIKeyQKFCBTITLYFLIE-NOAQBEMQSA-N
XLogP7.26
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 57.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(6Z)-6-[amino-[6-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-yl]methylidene]-N-methyl-N-[(4-phenanthren-9-ylphenyl)methyl]cyclohexa-2,4-dien-1-amine;9-(4-methylphenyl)phenanthrene
CID 144856421
(E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine
CID 142324458
(E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene
CID 144856655
2-[(E)-cyclohexa-2,4-dien-1-ylidene(1-triphenylen-2-ylethenylsulfanyl)methyl]triphenylene
CID 139372673
9-[2,2-bis(deuteriomethyl)cyclopropyl]phenanthrene
CID 142766365
N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide
CID 142293657
(10S,11S)-10,11-dihydrobenzo[a]anthracene-10,11-diol
CID 23621324
(2-phenanthren-9-ylcyclohexyl)phosphane
CID 175426688
(12R,23S)-2-phenanthren-9-ylpentacyclo[13.8.0.03,12.04,9.018,23]tricosa-5,7,9,17,19,21-hexaene-7,20-diol
CID 90222419
(E,3E)-2-[4-[5-[4-(1-benzothiophen-2-yl)cyclohexa-1,5-dien-1-yl]thiophen-2-yl]phenyl]-3-cyclohexa-2,4-dien-1-ylideneprop-1-en-1-amine
CID 143851052
1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene
CID 137161158
(4S)-4-phenanthren-9-ylimidazolidin-2-one
CID 171252796

Frequently Asked Questions

What is the IUPAC name of (E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine?
The IUPAC name of (E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine (CID 144856610) is (E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine.
What is the SMILES notation for (E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine?
The canonical SMILES for (E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine is NN/C(=C1/C=CC=CC1c1cc2ccccc2c2ccccc12)c1ccc(/C(N)=C2\C=CC=CC2)cc1.
What is the InChIKey of (E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine?
The InChIKey is QKFCBTITLYFLIE-NOAQBEMQSA-N. The full InChI is InChI=1S/C34H29N3/c35-33(23-10-2-1-3-11-23)24-18-20-25(21-19-24)34(37-36)31-17-9-8-16-30(31)32-22-26-12-4-5-13-27(26)28-14-6-7-15-29(28)32/h1-10,12-22,30,37H,11,35-36H2/b33-23-,34-31-.
What are the key properties of (E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine?
(E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine has a molecular weight of 479.63 g/mol, XLogP of 7.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine is sourced from PubChem (CID 144856610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).