10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-amine

C29H28N2 — CID 145339548

IUPAC10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-amine
SMILESC=Cc1c(/C=C\C)c2ccccc2c2cc(NC(/C=C\C)=C(/C)n3cccc3)ccc12
InChIInChI=1S/C29H28N2/c1-5-12-24-23(7-3)27-17-16-22(20-28(27)26-15-9-8-14-25(24)26)30-29(13-6-2)21(4)31-18-10-11-19-31/h5-20,30H,3H2,1-2,4H3/b12-5-,13-6-,29-21-
InChIKeyXMRKRUAMNNZTLQ-ZALYJPFISA-N
MW404.56 g/mol
LogP8.35
Rot. Bonds6

About 10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-amine

10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-amine (PubChem CID 145339548) has the molecular formula C29H28N2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-amine.

Molecular Properties

Compound Name10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-amine
PubChem CID145339548
Molecular FormulaC29H28N2
Molecular Weight404.56 g/mol
Exact Mass404.23
IUPAC Name10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-amine
SMILESC=Cc1c(/C=C\C)c2ccccc2c2cc(NC(/C=C\C)=C(/C)n3cccc3)ccc12
InChIInChI=1S/C29H28N2/c1-5-12-24-23(7-3)27-17-16-22(20-28(27)26-15-9-8-14-25(24)26)30-29(13-6-2)21(4)31-18-10-11-19-31/h5-20,30H,3H2,1-2,4H3/b12-5-,13-6-,29-21-
InChIKeyXMRKRUAMNNZTLQ-ZALYJPFISA-N
XLogP8.35
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-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

[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid
CID 145237300
9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 153357607
5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline
CID 130291492
N-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]aniline
CID 171844731
12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole
CID 144788021
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline
CID 145189562
1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene
CID 123587907
2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile
CID 145213372
[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] (E)-but-2-enoate
CID 7981141
3-[9-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]carbazol-3-yl]-9-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]carbazole
CID 88559482
9-ethenyl-10-methylphenanthrene
CID 123648763
ethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 142106352

Frequently Asked Questions

What is the IUPAC name of 10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-amine?
The IUPAC name of 10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-amine (CID 145339548) is 10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-amine.
What is the SMILES notation for 10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-amine?
The canonical SMILES for 10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-amine is C=Cc1c(/C=C\C)c2ccccc2c2cc(NC(/C=C\C)=C(/C)n3cccc3)ccc12.
What is the InChIKey of 10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-amine?
The InChIKey is XMRKRUAMNNZTLQ-ZALYJPFISA-N. The full InChI is InChI=1S/C29H28N2/c1-5-12-24-23(7-3)27-17-16-22(20-28(27)26-15-9-8-14-25(24)26)30-29(13-6-2)21(4)31-18-10-11-19-31/h5-20,30H,3H2,1-2,4H3/b12-5-,13-6-,29-21-.
What are the key properties of 10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-amine?
10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-amine has a molecular weight of 404.56 g/mol, XLogP of 8.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenyl-9-[(Z)-prop-1-enyl]-N-[(2Z,4Z)-2-pyrrol-1-ylhexa-2,4-dien-3-yl]phenanthren-3-amine is sourced from PubChem (CID 145339548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).