3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene

C50H32 — CID 58731422

IUPAC3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene
SMILESC=Cc1ccc(-c2ccc3c4c(ccc(-c5cccc6ccccc56)c24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C50H32/c1-2-32-24-26-34(27-25-32)38-28-30-43-48-44(31-29-42(47(38)48)39-23-13-19-33-14-9-10-20-37(33)39)50-46(36-17-7-4-8-18-36)41-22-12-11-21-40(41)45(49(43)50)35-15-5-3-6-16-35/h2-31H,1H2
InChIKeyBHQLNLOFNPYZTD-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.10
Rot. Bonds5

About 3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene

3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene (PubChem CID 58731422) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene
PubChem CID58731422
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene
SMILESC=Cc1ccc(-c2ccc3c4c(ccc(-c5cccc6ccccc56)c24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C50H32/c1-2-32-24-26-34(27-25-32)38-28-30-43-48-44(31-29-42(47(38)48)39-23-13-19-33-14-9-10-20-37(33)39)50-46(36-17-7-4-8-18-36)41-22-12-11-21-40(41)45(49(43)50)35-15-5-3-6-16-35/h2-31H,1H2
InChIKeyBHQLNLOFNPYZTD-UHFFFAOYSA-N
XLogP14.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene 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

4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline
CID 58731426
3-(4-ethenylphenyl)-4-(3-ethoxyphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 58731431
3-(4-ethenylphenyl)-6,15-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene
CID 90982288
9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene
CID 123676833
5-(4-ethenylphenyl)-11,18-diphenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 91116321
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
3,5,8,10,17,24-hexakis-phenyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 140722791
10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
CID 123260726
3-(4-butylphenyl)-4-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-(2-butylphenyl)-3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthene;4-[3-(4-ethenylphenyl)-7,12-diphenylbenzo[k]fluoranthen-4-yl]-N,N-dimethylaniline
CID 159021758
7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene
CID 58535128
3,5,8,10,17-pentakis-phenyl-24-(2-phenylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4,6,8,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
CID 140722698

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene?
The IUPAC name of 3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene (CID 58731422) is 3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene.
What is the SMILES notation for 3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene?
The canonical SMILES for 3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene is C=Cc1ccc(-c2ccc3c4c(ccc(-c5cccc6ccccc56)c24)-c2c-3c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene?
The InChIKey is BHQLNLOFNPYZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-32-24-26-34(27-25-32)38-28-30-43-48-44(31-29-42(47(38)48)39-23-13-19-33-14-9-10-20-37(33)39)50-46(36-17-7-4-8-18-36)41-22-12-11-21-40(41)45(49(43)50)35-15-5-3-6-16-35/h2-31H,1H2.
What are the key properties of 3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene?
3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene has a molecular weight of 632.81 g/mol, XLogP of 14.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethenylphenyl)-4-naphthalen-1-yl-7,12-diphenylbenzo[k]fluoranthene is sourced from PubChem (CID 58731422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).