9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene

C40H30 — CID 144924595

IUPAC9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene
SMILESC=C(/C=C\C)c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc4ccccc4c2-3)c1
InChIInChI=1S/C40H30/c1-3-13-28(2)30-15-12-16-31(26-30)32-22-24-36-38(27-32)40(33-17-6-4-7-18-33,34-19-8-5-9-20-34)37-25-23-29-14-10-11-21-35(29)39(36)37/h3-27H,2H2,1H3/b13-3-
InChIKeyGSQPLUSSJMYJOT-DXNYSGJVSA-N
MW510.68 g/mol
LogP10.46
Rot. Bonds5

About 9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene

9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene (PubChem CID 144924595) has the molecular formula C40H30 and a molecular weight of 510.68 g/mol. Its IUPAC name is 9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene.

Molecular Properties

Compound Name9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene
PubChem CID144924595
Molecular FormulaC40H30
Molecular Weight510.68 g/mol
Exact Mass510.23
IUPAC Name9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene
SMILESC=C(/C=C\C)c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc4ccccc4c2-3)c1
InChIInChI=1S/C40H30/c1-3-13-28(2)30-15-12-16-31(26-30)32-22-24-36-38(27-32)40(33-17-6-4-7-18-33,34-19-8-5-9-20-34)37-25-23-29-14-10-11-21-35(29)39(36)37/h3-27H,2H2,1H3/b13-3-
InChIKeyGSQPLUSSJMYJOT-DXNYSGJVSA-N
XLogP10.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.68
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034390
7-(4-methylphenyl)-7-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 144583282
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[3-[4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 170256279
9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
CID 153369031
3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine
CID 140768911
4-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylbenzo[c]fluoren-7-yl]benzonitrile
CID 157459321
4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 168777357
2-[3-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450602
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine
CID 168779036
2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 134487429
2,4-bis(3-phenylphenyl)-6-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134574249
2,4-diphenyl-6-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 158764717

Frequently Asked Questions

What is the IUPAC name of 9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene?
The IUPAC name of 9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene (CID 144924595) is 9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene.
What is the SMILES notation for 9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene?
The canonical SMILES for 9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene is C=C(/C=C\C)c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc4ccccc4c2-3)c1.
What is the InChIKey of 9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene?
The InChIKey is GSQPLUSSJMYJOT-DXNYSGJVSA-N. The full InChI is InChI=1S/C40H30/c1-3-13-28(2)30-15-12-16-31(26-30)32-22-24-36-38(27-32)40(33-17-6-4-7-18-33,34-19-8-5-9-20-34)37-25-23-29-14-10-11-21-35(29)39(36)37/h3-27H,2H2,1H3/b13-3-.
What are the key properties of 9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene?
9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene has a molecular weight of 510.68 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene is sourced from PubChem (CID 144924595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).