(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

C67H55N3 — CID 144856421

IUPAC(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
SMILESCN(Cc1ccc(-c2cc3ccccc3c3ccccc23)cc1)C1C=CC=C/C1=C(/N)c1ccc2cc(/C(N)=C3\C=CC=CC3)ccc2c1.Cc1ccc(-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C46H39N3.C21H16/c1-49(30-31-19-21-32(22-20-31)43-29-36-13-5-6-14-39(36)40-15-7-8-16-41(40)43)44-18-10-9-17-42(44)46(48)38-26-24-34-27-37(25-23-35(34)28-38)45(47)33-11-3-2-4-12-33;1-15-10-12-16(13-11-15)21-14-17-6-2-3-7-18(17)19-8-4-5-9-20(19)21/h2-11,13-29,44H,12,30,47-48H2,1H3;2-14H,1H3/b45-33-,46-42-;
InChIKeyVEBZUGBWUFHWDG-XKCOWFPTSA-N
MW902.20 g/mol
LogP16.26
Rot. Bonds7

About (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

(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 (PubChem CID 144856421) has the molecular formula C67H55N3 and a molecular weight of 902.20 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID144856421
Molecular FormulaC67H55N3
Molecular Weight902.20 g/mol
Exact Mass901.44
IUPAC Name(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
SMILESCN(Cc1ccc(-c2cc3ccccc3c3ccccc23)cc1)C1C=CC=C/C1=C(/N)c1ccc2cc(/C(N)=C3\C=CC=CC3)ccc2c1.Cc1ccc(-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C46H39N3.C21H16/c1-49(30-31-19-21-32(22-20-31)43-29-36-13-5-6-14-39(36)40-15-7-8-16-41(40)43)44-18-10-9-17-42(44)46(48)38-26-24-34-27-37(25-23-35(34)28-38)45(47)33-11-3-2-4-12-33;1-15-10-12-16(13-11-15)21-14-17-6-2-3-7-18(17)19-8-4-5-9-20(19)21/h2-11,13-29,44H,12,30,47-48H2,1H3;2-14H,1H3/b45-33-,46-42-;
InChIKeyVEBZUGBWUFHWDG-XKCOWFPTSA-N
XLogP16.26
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.20
LogP ≤ 516.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine
CID 144856610
(E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene
CID 144856655
(E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine
CID 142324458
N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide
CID 142293657
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
9-[6-[(2E,4Z)-6-[6-methyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]hexa-2,4-dien-3-yl]naphthalen-2-yl]phenanthrene
CID 143980808
(2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide
CID 54197832
1-(4-phenanthren-9-ylphenyl)ethanimine
CID 163584495
2-chrysen-2-ylethanol
CID 87369474
methyl 4-oxo-2-[(4-phenanthren-9-ylphenyl)methyl]pentanoate
CID 58560275
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
[3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol
CID 88900775

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN(Cc1ccc(-c2cc3ccccc3c3ccccc23)cc1)C1C=CC=C/C1=C(/N)c1ccc2cc(/C(N)=C3\C=CC=CC3)ccc2c1.Cc1ccc(-c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of (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?
The InChIKey is VEBZUGBWUFHWDG-XKCOWFPTSA-N. The full InChI is InChI=1S/C46H39N3.C21H16/c1-49(30-31-19-21-32(22-20-31)43-29-36-13-5-6-14-39(36)40-15-7-8-16-41(40)43)44-18-10-9-17-42(44)46(48)38-26-24-34-27-37(25-23-35(34)28-38)45(47)33-11-3-2-4-12-33;1-15-10-12-16(13-11-15)21-14-17-6-2-3-7-18(17)19-8-4-5-9-20(19)21/h2-11,13-29,44H,12,30,47-48H2,1H3;2-14H,1H3/b45-33-,46-42-;.
What are the key properties of (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?
(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 has a molecular weight of 902.20 g/mol, XLogP of 16.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 144856421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).