4-(2-phenylethenyl)hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaene

C30H22 — CID 135024426

IUPAC4-(2-phenylethenyl)hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaene
SMILESC(=Cc1ccc2c(c1)C1c3ccccc3C3c4ccccc4C2C31)c1ccccc1
InChIInChI=1S/C30H22/c1-2-8-19(9-3-1)14-15-20-16-17-25-26(18-20)29-24-13-7-6-12-23(24)27-21-10-4-5-11-22(21)28(25)30(27)29/h1-18,27-30H
InChIKeyAIDBWCCITCJWMX-UHFFFAOYSA-N
MW382.51 g/mol
LogP7.21
Rot. Bonds2

About 4-(2-phenylethenyl)hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaene

4-(2-phenylethenyl)hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaene (PubChem CID 135024426) has the molecular formula C30H22 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-(2-phenylethenyl)hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaene.

Molecular Properties

Compound Name4-(2-phenylethenyl)hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaene
PubChem CID135024426
Molecular FormulaC30H22
Molecular Weight382.51 g/mol
Exact Mass382.17
IUPAC Name4-(2-phenylethenyl)hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaene
SMILESC(=Cc1ccc2c(c1)C1c3ccccc3C3c4ccccc4C2C31)c1ccccc1
InChIInChI=1S/C30H22/c1-2-8-19(9-3-1)14-15-20-16-17-25-26(18-20)29-24-13-7-6-12-23(24)27-21-10-4-5-11-22(21)28(25)30(27)29/h1-18,27-30H
InChIKeyAIDBWCCITCJWMX-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
CID 70567885
CID 70567885
CID 70569152
CID 70569152
1-bromo-3-[(E)-2-phenylethenyl]benzene
CID 5374624
N,N-diphenyl-4-[(E)-2-[3-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 14366512
9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene
CID 58402256
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene
CID 71373696
4-[(E)-2-phenylethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile
CID 139326351
2-[(E)-2-phenylethenyl]azulene
CID 12674002
acetic acid;stilbene
CID 172803728

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethenyl)hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaene?
The IUPAC name of 4-(2-phenylethenyl)hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaene (CID 135024426) is 4-(2-phenylethenyl)hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaene.
What is the SMILES notation for 4-(2-phenylethenyl)hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaene?
The canonical SMILES for 4-(2-phenylethenyl)hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaene is C(=Cc1ccc2c(c1)C1c3ccccc3C3c4ccccc4C2C31)c1ccccc1.
What is the InChIKey of 4-(2-phenylethenyl)hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaene?
The InChIKey is AIDBWCCITCJWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22/c1-2-8-19(9-3-1)14-15-20-16-17-25-26(18-20)29-24-13-7-6-12-23(24)27-21-10-4-5-11-22(21)28(25)30(27)29/h1-18,27-30H.
What are the key properties of 4-(2-phenylethenyl)hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaene?
4-(2-phenylethenyl)hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaene has a molecular weight of 382.51 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethenyl)hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaene is sourced from PubChem (CID 135024426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).