(2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine

C40H29N — CID 144925274

IUPAC(2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine
SMILES[H]/N=C/C=C(\C=C)c1cc2c(c3ccccc13)-c1ccc(-c3ccccc3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H29N/c1-2-28(24-25-41)36-27-38-39(34-21-13-12-20-33(34)36)35-23-22-30(29-14-6-3-7-15-29)26-37(35)40(38,31-16-8-4-9-17-31)32-18-10-5-11-19-32/h2-27,41H,1H2/b28-24+,41-25+
InChIKeyHXNCABPYFCWVLF-NGBODXQISA-N
MW523.68 g/mol
LogP10.09
Rot. Bonds6

About (2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine

(2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine (PubChem CID 144925274) has the molecular formula C40H29N and a molecular weight of 523.68 g/mol. Its IUPAC name is (2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine
PubChem CID144925274
Molecular FormulaC40H29N
Molecular Weight523.68 g/mol
Exact Mass523.23
IUPAC Name(2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine
SMILES[H]/N=C/C=C(\C=C)c1cc2c(c3ccccc13)-c1ccc(-c3ccccc3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H29N/c1-2-28(24-25-41)36-27-38-39(34-21-13-12-20-33(34)36)35-23-22-30(29-14-6-3-7-15-29)26-37(35)40(38,31-16-8-4-9-17-31)32-18-10-5-11-19-32/h2-27,41H,1H2/b28-24+,41-25+
InChIKeyHXNCABPYFCWVLF-NGBODXQISA-N
XLogP10.09
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 510.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine 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

7,7-diphenyl-5,9-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[c]fluorene
CID 59755297
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
9-phenanthren-9-yl-5,7,7-triphenylbenzo[c]fluorene
CID 59755306
2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene
CID 58795230
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene
CID 164737939
5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 134354213
5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane
CID 144772565
5-[6-(7,7,9-triphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118398141
9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene
CID 144924595

Frequently Asked Questions

What is the IUPAC name of (2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine?
The IUPAC name of (2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine (CID 144925274) is (2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine?
The canonical SMILES for (2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine is [H]/N=C/C=C(\C=C)c1cc2c(c3ccccc13)-c1ccc(-c3ccccc3)cc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine?
The InChIKey is HXNCABPYFCWVLF-NGBODXQISA-N. The full InChI is InChI=1S/C40H29N/c1-2-28(24-25-41)36-27-38-39(34-21-13-12-20-33(34)36)35-23-22-30(29-14-6-3-7-15-29)26-37(35)40(38,31-16-8-4-9-17-31)32-18-10-5-11-19-32/h2-27,41H,1H2/b28-24+,41-25+.
What are the key properties of (2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine?
(2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine has a molecular weight of 523.68 g/mol, XLogP of 10.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine is sourced from PubChem (CID 144925274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).