4-ethenyl-2-naphthalen-1-yl-3-[(Z)-prop-1-enyl]-9H-fluorene

C28H22 — CID 144938913

IUPAC4-ethenyl-2-naphthalen-1-yl-3-[(Z)-prop-1-enyl]-9H-fluorene
SMILESC=Cc1c(/C=C\C)c(-c2cccc3ccccc23)cc2c1-c1ccccc1C2
InChIInChI=1S/C28H22/c1-3-10-25-22(4-2)28-21(17-20-12-6-8-15-24(20)28)18-27(25)26-16-9-13-19-11-5-7-14-23(19)26/h3-16,18H,2,17H2,1H3/b10-3-
InChIKeyKSFVMGWTLFUXHH-KMKOMSMNSA-N
MW358.48 g/mol
LogP7.75
Rot. Bonds3

About 4-ethenyl-2-naphthalen-1-yl-3-[(Z)-prop-1-enyl]-9H-fluorene

4-ethenyl-2-naphthalen-1-yl-3-[(Z)-prop-1-enyl]-9H-fluorene (PubChem CID 144938913) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 4-ethenyl-2-naphthalen-1-yl-3-[(Z)-prop-1-enyl]-9H-fluorene.

Molecular Properties

Compound Name4-ethenyl-2-naphthalen-1-yl-3-[(Z)-prop-1-enyl]-9H-fluorene
PubChem CID144938913
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name4-ethenyl-2-naphthalen-1-yl-3-[(Z)-prop-1-enyl]-9H-fluorene
SMILESC=Cc1c(/C=C\C)c(-c2cccc3ccccc23)cc2c1-c1ccccc1C2
InChIInChI=1S/C28H22/c1-3-10-25-22(4-2)28-21(17-20-12-6-8-15-24(20)28)18-27(25)26-16-9-13-19-11-5-7-14-23(19)26/h3-16,18H,2,17H2,1H3/b10-3-
InChIKeyKSFVMGWTLFUXHH-KMKOMSMNSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2,3,5,6-tetrakis(ethenyl)phenyl]naphthalene
CID 123541767
1-(2,3,4,5-tetramethyl-6-prop-1-enylphenyl)naphthalene
CID 159474503
4-bromo-2-naphthalen-1-yl-9H-fluorene
CID 175318573
1-[4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]phenyl]-2-methylnaphthalene
CID 142261922
ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene
CID 143743010
9-[3-ethenyl-4-naphthalen-2-yl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 143595046
9-[2,3-bis(ethenyl)-4-phenanthren-9-ylnaphthalen-1-yl]phenanthrene
CID 143856224
2-ethenyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 58975510
5-naphthalen-1-yl-11H-benzo[a]fluorene
CID 161363694
11-ethenyl-6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-[(Z)-prop-1-enyl]-9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 167022348
9-[2,3-bis(ethenyl)phenyl]-10-naphthalen-1-ylanthracene
CID 90899985
tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161230311

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-naphthalen-1-yl-3-[(Z)-prop-1-enyl]-9H-fluorene?
The IUPAC name of 4-ethenyl-2-naphthalen-1-yl-3-[(Z)-prop-1-enyl]-9H-fluorene (CID 144938913) is 4-ethenyl-2-naphthalen-1-yl-3-[(Z)-prop-1-enyl]-9H-fluorene.
What is the SMILES notation for 4-ethenyl-2-naphthalen-1-yl-3-[(Z)-prop-1-enyl]-9H-fluorene?
The canonical SMILES for 4-ethenyl-2-naphthalen-1-yl-3-[(Z)-prop-1-enyl]-9H-fluorene is C=Cc1c(/C=C\C)c(-c2cccc3ccccc23)cc2c1-c1ccccc1C2.
What is the InChIKey of 4-ethenyl-2-naphthalen-1-yl-3-[(Z)-prop-1-enyl]-9H-fluorene?
The InChIKey is KSFVMGWTLFUXHH-KMKOMSMNSA-N. The full InChI is InChI=1S/C28H22/c1-3-10-25-22(4-2)28-21(17-20-12-6-8-15-24(20)28)18-27(25)26-16-9-13-19-11-5-7-14-23(19)26/h3-16,18H,2,17H2,1H3/b10-3-.
What are the key properties of 4-ethenyl-2-naphthalen-1-yl-3-[(Z)-prop-1-enyl]-9H-fluorene?
4-ethenyl-2-naphthalen-1-yl-3-[(Z)-prop-1-enyl]-9H-fluorene has a molecular weight of 358.48 g/mol, XLogP of 7.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-naphthalen-1-yl-3-[(Z)-prop-1-enyl]-9H-fluorene is sourced from PubChem (CID 144938913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).