ethane;(1Z,3E)-3-[4-(4-fluoranthen-3-ylcyclohepta-1,3,6-trien-1-yl)phenyl]penta-1,3-dien-1-amine

C36H33N — CID 144967954

IUPACethane;(1Z,3E)-3-[4-(4-fluoranthen-3-ylcyclohepta-1,3,6-trien-1-yl)phenyl]penta-1,3-dien-1-amine
SMILESC/C=C(\C=C/N)c1ccc(C2=CC=C(c3ccc4c5c(cccc35)-c3ccccc3-4)CC=C2)cc1.CC
InChIInChI=1S/C34H27N.C2H6/c1-2-23(21-22-35)25-13-15-26(16-14-25)24-7-5-8-27(18-17-24)28-19-20-33-30-10-4-3-9-29(30)32-12-6-11-31(28)34(32)33;1-2/h2-7,9-22H,8,35H2,1H3;1-2H3/b22-21-,23-2+;
InChIKeyPNTVVLBWIAHSTK-WTAZKXOXSA-N
MW479.67 g/mol
LogP9.82
Rot. Bonds4

About ethane;(1Z,3E)-3-[4-(4-fluoranthen-3-ylcyclohepta-1,3,6-trien-1-yl)phenyl]penta-1,3-dien-1-amine

ethane;(1Z,3E)-3-[4-(4-fluoranthen-3-ylcyclohepta-1,3,6-trien-1-yl)phenyl]penta-1,3-dien-1-amine (PubChem CID 144967954) has the molecular formula C36H33N and a molecular weight of 479.67 g/mol. Its IUPAC name is ethane;(1Z,3E)-3-[4-(4-fluoranthen-3-ylcyclohepta-1,3,6-trien-1-yl)phenyl]penta-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;(1Z,3E)-3-[4-(4-fluoranthen-3-ylcyclohepta-1,3,6-trien-1-yl)phenyl]penta-1,3-dien-1-amine
PubChem CID144967954
Molecular FormulaC36H33N
Molecular Weight479.67 g/mol
Exact Mass479.26
IUPAC Nameethane;(1Z,3E)-3-[4-(4-fluoranthen-3-ylcyclohepta-1,3,6-trien-1-yl)phenyl]penta-1,3-dien-1-amine
SMILESC/C=C(\C=C/N)c1ccc(C2=CC=C(c3ccc4c5c(cccc35)-c3ccccc3-4)CC=C2)cc1.CC
InChIInChI=1S/C34H27N.C2H6/c1-2-23(21-22-35)25-13-15-26(16-14-25)24-7-5-8-27(18-17-24)28-19-20-33-30-10-4-3-9-29(30)32-12-6-11-31(28)34(32)33;1-2/h2-7,9-22H,8,35H2,1H3;1-2H3/b22-21-,23-2+;
InChIKeyPNTVVLBWIAHSTK-WTAZKXOXSA-N
XLogP9.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 59.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(1Z,3E)-3-[4-(4-fluoranthen-3-ylcyclohepta-1,3,6-trien-1-yl)phenyl]penta-1,3-dien-1-amine 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

N-[4-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,5-triphenylcarbazol-9-amine
CID 145110416
1-(4-methylcyclohepta-1,3,5-trien-1-yl)naphthalene
CID 143924056
N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-amine
CID 145276711
N-(4-bromophenyl)-4-dibenzofuran-4-yl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline;ethane
CID 142363351
N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-N-[2-[4-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-4-phenylaniline
CID 134256907
3-(3-methylphenyl)fluoranthene
CID 123478210
3-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
CID 126746544
3-(3-fluoranthen-3-yl-2,4,5,6-tetramethylphenyl)fluoranthene
CID 59728635
ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390494
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853

Frequently Asked Questions

What is the IUPAC name of ethane;(1Z,3E)-3-[4-(4-fluoranthen-3-ylcyclohepta-1,3,6-trien-1-yl)phenyl]penta-1,3-dien-1-amine?
The IUPAC name of ethane;(1Z,3E)-3-[4-(4-fluoranthen-3-ylcyclohepta-1,3,6-trien-1-yl)phenyl]penta-1,3-dien-1-amine (CID 144967954) is ethane;(1Z,3E)-3-[4-(4-fluoranthen-3-ylcyclohepta-1,3,6-trien-1-yl)phenyl]penta-1,3-dien-1-amine.
What is the SMILES notation for ethane;(1Z,3E)-3-[4-(4-fluoranthen-3-ylcyclohepta-1,3,6-trien-1-yl)phenyl]penta-1,3-dien-1-amine?
The canonical SMILES for ethane;(1Z,3E)-3-[4-(4-fluoranthen-3-ylcyclohepta-1,3,6-trien-1-yl)phenyl]penta-1,3-dien-1-amine is C/C=C(\C=C/N)c1ccc(C2=CC=C(c3ccc4c5c(cccc35)-c3ccccc3-4)CC=C2)cc1.CC.
What is the InChIKey of ethane;(1Z,3E)-3-[4-(4-fluoranthen-3-ylcyclohepta-1,3,6-trien-1-yl)phenyl]penta-1,3-dien-1-amine?
The InChIKey is PNTVVLBWIAHSTK-WTAZKXOXSA-N. The full InChI is InChI=1S/C34H27N.C2H6/c1-2-23(21-22-35)25-13-15-26(16-14-25)24-7-5-8-27(18-17-24)28-19-20-33-30-10-4-3-9-29(30)32-12-6-11-31(28)34(32)33;1-2/h2-7,9-22H,8,35H2,1H3;1-2H3/b22-21-,23-2+;.
What are the key properties of ethane;(1Z,3E)-3-[4-(4-fluoranthen-3-ylcyclohepta-1,3,6-trien-1-yl)phenyl]penta-1,3-dien-1-amine?
ethane;(1Z,3E)-3-[4-(4-fluoranthen-3-ylcyclohepta-1,3,6-trien-1-yl)phenyl]penta-1,3-dien-1-amine has a molecular weight of 479.67 g/mol, XLogP of 9.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z,3E)-3-[4-(4-fluoranthen-3-ylcyclohepta-1,3,6-trien-1-yl)phenyl]penta-1,3-dien-1-amine is sourced from PubChem (CID 144967954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).