1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene

C31H28 — CID 143613386

IUPAC1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene
SMILESC=Cc1ccccccc(/C=C/C)c2ccccc12.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18.C12H10/c1-3-11-17-13-8-6-5-7-12-16(4-2)18-14-9-10-15-19(17)18;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-15H,2H2,1H3;1-10H/b6-5-,7-5-,8-6-,11-3+,12-7+,13-8+,16-12+,17-13+,18-16-,19-17-;
InChIKeyWQLTYNSOWOOYQK-ZQOIJHNXSA-N
MW400.57 g/mol
LogP8.99
Rot. Bonds3

About 1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene

1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene (PubChem CID 143613386) has the molecular formula C31H28 and a molecular weight of 400.57 g/mol. Its IUPAC name is 1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene.

Molecular Properties

Compound Name1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene
PubChem CID143613386
Molecular FormulaC31H28
Molecular Weight400.57 g/mol
Exact Mass400.22
IUPAC Name1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene
SMILESC=Cc1ccccccc(/C=C/C)c2ccccc12.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18.C12H10/c1-3-11-17-13-8-6-5-7-12-16(4-2)18-14-9-10-15-19(17)18;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-15H,2H2,1H3;1-10H/b6-5-,7-5-,8-6-,11-3+,12-7+,13-8+,16-12+,17-13+,18-16-,19-17-;
InChIKeyWQLTYNSOWOOYQK-ZQOIJHNXSA-N
XLogP8.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene 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

6-ethenyl-18-[(E)-prop-1-enyl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 134443510
1,5-bis(prop-1-enyl)naphthalene
CID 139669430
ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane
CID 142250050
1,2-bis(ethenyl)benzene;ethane;prop-1-ene
CID 143139503
1-phenyl-2-[(Z)-prop-1-enyl]benzene
CID 143027726
1,1'-biphenyl;ethane;prop-1-ene
CID 156726173
1-ethenyl-2-[2-(2-ethenylphenyl)ethenyl]benzene
CID 162779028
CID 67878092
CID 67878092
1,2-bis(ethenyl)benzene;platinum
CID 175428021
1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine
CID 156725547
1,1'-biphenyl;1-bromo-2-ethenylbenzene
CID 162205107
4-prop-1-enylnaphthalene-1-carboxylic acid
CID 139748494

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene?
The IUPAC name of 1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene (CID 143613386) is 1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene.
What is the SMILES notation for 1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene?
The canonical SMILES for 1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene is C=Cc1ccccccc(/C=C/C)c2ccccc12.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene?
The InChIKey is WQLTYNSOWOOYQK-ZQOIJHNXSA-N. The full InChI is InChI=1S/C19H18.C12H10/c1-3-11-17-13-8-6-5-7-12-16(4-2)18-14-9-10-15-19(17)18;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3-15H,2H2,1H3;1-10H/b6-5-,7-5-,8-6-,11-3+,12-7+,13-8+,16-12+,17-13+,18-16-,19-17-;.
What are the key properties of 1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene?
1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene has a molecular weight of 400.57 g/mol, XLogP of 8.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene is sourced from PubChem (CID 143613386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).