5-(7,12-diphenyl-11a,12-dihydrobenzo[k]fluoranthen-4-yl)-2-(trifluoromethyl)pyridine

C38H24F3N — CID 145333732

IUPAC5-(7,12-diphenyl-11a,12-dihydrobenzo[k]fluoranthen-4-yl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2ccc3c4c(cccc24)C2=C3C(c3ccccc3)=C3C=CC=CC3C2c2ccccc2)cn1
InChIInChI=1S/C38H24F3N/c39-38(40,41)32-21-18-25(22-42-32)26-19-20-31-35-27(26)16-9-17-30(35)36-33(23-10-3-1-4-11-23)28-14-7-8-15-29(28)34(37(31)36)24-12-5-2-6-13-24/h1-22,28,33H
InChIKeySGURALJDASROQT-UHFFFAOYSA-N
MW551.61 g/mol
LogP10.14
Rot. Bonds3

About 5-(7,12-diphenyl-11a,12-dihydrobenzo[k]fluoranthen-4-yl)-2-(trifluoromethyl)pyridine

5-(7,12-diphenyl-11a,12-dihydrobenzo[k]fluoranthen-4-yl)-2-(trifluoromethyl)pyridine (PubChem CID 145333732) has the molecular formula C38H24F3N and a molecular weight of 551.61 g/mol. Its IUPAC name is 5-(7,12-diphenyl-11a,12-dihydrobenzo[k]fluoranthen-4-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(7,12-diphenyl-11a,12-dihydrobenzo[k]fluoranthen-4-yl)-2-(trifluoromethyl)pyridine
PubChem CID145333732
Molecular FormulaC38H24F3N
Molecular Weight551.61 g/mol
Exact Mass551.19
IUPAC Name5-(7,12-diphenyl-11a,12-dihydrobenzo[k]fluoranthen-4-yl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2ccc3c4c(cccc24)C2=C3C(c3ccccc3)=C3C=CC=CC3C2c2ccccc2)cn1
InChIInChI=1S/C38H24F3N/c39-38(40,41)32-21-18-25(22-42-32)26-19-20-31-35-27(26)16-9-17-30(35)36-33(23-10-3-1-4-11-23)28-14-7-8-15-29(28)34(37(31)36)24-12-5-2-6-13-24/h1-22,28,33H
InChIKeySGURALJDASROQT-UHFFFAOYSA-N
XLogP10.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.61
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(7,12-diphenyl-11a,12-dihydrobenzo[k]fluoranthen-4-yl)-2-(trifluoromethyl)pyridine 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

2-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 142726481
5-chrysen-6-yl-2-(10-phenyl-8a,9-dihydroanthracen-9-yl)pyridine
CID 88943692
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7,12-diphenyl-12,12a-dihydrobenzo[k]fluoranthene
CID 143739682
7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 167515975
5-[10-[6-(4-tert-butylphenyl)pyren-1-yl]anthracen-9-yl]-2-(trifluoromethyl)pyridine
CID 167155091
5-[10-(6-fluoropyren-1-yl)anthracen-9-yl]-2-(trifluoromethyl)pyridine
CID 167155028
12-[4-(6-methyl-10-phenyl-4a,10-dihydroanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163454620
5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 174288377
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
10-iodo-9-phenyl-4a,10-dihydroanthracene
CID 129174339
4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline
CID 4126931
4-[2-phenyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline
CID 3525812

Frequently Asked Questions

What is the IUPAC name of 5-(7,12-diphenyl-11a,12-dihydrobenzo[k]fluoranthen-4-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(7,12-diphenyl-11a,12-dihydrobenzo[k]fluoranthen-4-yl)-2-(trifluoromethyl)pyridine (CID 145333732) is 5-(7,12-diphenyl-11a,12-dihydrobenzo[k]fluoranthen-4-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(7,12-diphenyl-11a,12-dihydrobenzo[k]fluoranthen-4-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(7,12-diphenyl-11a,12-dihydrobenzo[k]fluoranthen-4-yl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(-c2ccc3c4c(cccc24)C2=C3C(c3ccccc3)=C3C=CC=CC3C2c2ccccc2)cn1.
What is the InChIKey of 5-(7,12-diphenyl-11a,12-dihydrobenzo[k]fluoranthen-4-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is SGURALJDASROQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24F3N/c39-38(40,41)32-21-18-25(22-42-32)26-19-20-31-35-27(26)16-9-17-30(35)36-33(23-10-3-1-4-11-23)28-14-7-8-15-29(28)34(37(31)36)24-12-5-2-6-13-24/h1-22,28,33H.
What are the key properties of 5-(7,12-diphenyl-11a,12-dihydrobenzo[k]fluoranthen-4-yl)-2-(trifluoromethyl)pyridine?
5-(7,12-diphenyl-11a,12-dihydrobenzo[k]fluoranthen-4-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 551.61 g/mol, XLogP of 10.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,12-diphenyl-11a,12-dihydrobenzo[k]fluoranthen-4-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 145333732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).