9-[(1Z)-buta-1,3-dienyl]-10-methyl-2-prop-1-en-2-ylphenanthrene

C22H20 — CID 143761267

IUPAC9-[(1Z)-buta-1,3-dienyl]-10-methyl-2-prop-1-en-2-ylphenanthrene
SMILESC=C/C=C\c1c(C)c2cc(C(=C)C)ccc2c2ccccc12
InChIInChI=1S/C22H20/c1-5-6-9-18-16(4)22-14-17(15(2)3)12-13-21(22)20-11-8-7-10-19(18)20/h5-14H,1-2H2,3-4H3/b9-6-
InChIKeyKCMQXWCIHFLDPX-TWGQIWQCSA-N
MW284.40 g/mol
LogP6.53
Rot. Bonds3

About 9-[(1Z)-buta-1,3-dienyl]-10-methyl-2-prop-1-en-2-ylphenanthrene

9-[(1Z)-buta-1,3-dienyl]-10-methyl-2-prop-1-en-2-ylphenanthrene (PubChem CID 143761267) has the molecular formula C22H20 and a molecular weight of 284.40 g/mol. Its IUPAC name is 9-[(1Z)-buta-1,3-dienyl]-10-methyl-2-prop-1-en-2-ylphenanthrene.

Molecular Properties

Compound Name9-[(1Z)-buta-1,3-dienyl]-10-methyl-2-prop-1-en-2-ylphenanthrene
PubChem CID143761267
Molecular FormulaC22H20
Molecular Weight284.40 g/mol
Exact Mass284.16
IUPAC Name9-[(1Z)-buta-1,3-dienyl]-10-methyl-2-prop-1-en-2-ylphenanthrene
SMILESC=C/C=C\c1c(C)c2cc(C(=C)C)ccc2c2ccccc12
InChIInChI=1S/C22H20/c1-5-6-9-18-16(4)22-14-17(15(2)3)12-13-21(22)20-11-8-7-10-19(18)20/h5-14H,1-2H2,3-4H3/b9-6-
InChIKeyKCMQXWCIHFLDPX-TWGQIWQCSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-prop-1-en-2-yltriphenylene
CID 142551751
2-[4-[9-[(1Z)-buta-1,3-dienyl]-10-methylphenanthren-2-yl]phenyl]-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenylpyrimidine
CID 146254749
9,10-dimethoxy-2-prop-1-en-2-ylanthracene
CID 102248017
9-ethenyl-10-methylphenanthrene
CID 123648763
2-prop-1-en-2-yldibenzofuran
CID 142504770
4-[4-[(1Z)-buta-1,3-dienyl]-3-methylnaphthalen-2-yl]-6-phenanthren-9-yl-2-(4-phenylphenyl)pyrimidine
CID 167027872
ethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 142106352
3-[9-[21-[(1Z)-buta-1,3-dienyl]-22-methyl-4-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90352520
7-[(1Z)-buta-1,3-dienyl]-1,5,6,8-tetramethylquinolin-1-ium
CID 168990372
3-[(3Z)-4-[4-[(1Z)-buta-1,3-dienyl]-2,3-dimethylphenyl]buta-1,3-dien-2-yl]-6-triphenylen-2-yl-9,9'-spirobi[fluorene]
CID 174004057
4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran
CID 89189228
10-[(1Z)-buta-1,3-dienyl]-N-[(E)-2-(10-ethylideneindolo[1,2-a]indol-11-yl)ethenyl]-9-methyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthren-3-amine
CID 118190996

Frequently Asked Questions

What is the IUPAC name of 9-[(1Z)-buta-1,3-dienyl]-10-methyl-2-prop-1-en-2-ylphenanthrene?
The IUPAC name of 9-[(1Z)-buta-1,3-dienyl]-10-methyl-2-prop-1-en-2-ylphenanthrene (CID 143761267) is 9-[(1Z)-buta-1,3-dienyl]-10-methyl-2-prop-1-en-2-ylphenanthrene.
What is the SMILES notation for 9-[(1Z)-buta-1,3-dienyl]-10-methyl-2-prop-1-en-2-ylphenanthrene?
The canonical SMILES for 9-[(1Z)-buta-1,3-dienyl]-10-methyl-2-prop-1-en-2-ylphenanthrene is C=C/C=C\c1c(C)c2cc(C(=C)C)ccc2c2ccccc12.
What is the InChIKey of 9-[(1Z)-buta-1,3-dienyl]-10-methyl-2-prop-1-en-2-ylphenanthrene?
The InChIKey is KCMQXWCIHFLDPX-TWGQIWQCSA-N. The full InChI is InChI=1S/C22H20/c1-5-6-9-18-16(4)22-14-17(15(2)3)12-13-21(22)20-11-8-7-10-19(18)20/h5-14H,1-2H2,3-4H3/b9-6-.
What are the key properties of 9-[(1Z)-buta-1,3-dienyl]-10-methyl-2-prop-1-en-2-ylphenanthrene?
9-[(1Z)-buta-1,3-dienyl]-10-methyl-2-prop-1-en-2-ylphenanthrene has a molecular weight of 284.40 g/mol, XLogP of 6.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1Z)-buta-1,3-dienyl]-10-methyl-2-prop-1-en-2-ylphenanthrene is sourced from PubChem (CID 143761267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).