3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine

C28H18ClN — CID 153406387

IUPAC3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine
SMILESClc1cccc2c1-c1ccc3ccccc3c1C2(c1ccccc1)c1cccnc1
InChIInChI=1S/C28H18ClN/c29-25-14-6-13-24-26(25)23-16-15-19-8-4-5-12-22(19)27(23)28(24,20-9-2-1-3-10-20)21-11-7-17-30-18-21/h1-18H
InChIKeyZEBOHYWEQHQECA-UHFFFAOYSA-N
MW403.91 g/mol
LogP7.25
Rot. Bonds2

About 3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine

3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine (PubChem CID 153406387) has the molecular formula C28H18ClN and a molecular weight of 403.91 g/mol. Its IUPAC name is 3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine.

Molecular Properties

Compound Name3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine
PubChem CID153406387
Molecular FormulaC28H18ClN
Molecular Weight403.91 g/mol
Exact Mass403.11
IUPAC Name3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine
SMILESClc1cccc2c1-c1ccc3ccccc3c1C2(c1ccccc1)c1cccnc1
InChIInChI=1S/C28H18ClN/c29-25-14-6-13-24-26(25)23-16-15-19-8-4-5-12-22(19)27(23)28(24,20-9-2-1-3-10-20)21-11-7-17-30-18-21/h1-18H
InChIKeyZEBOHYWEQHQECA-UHFFFAOYSA-N
XLogP7.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline
CID 153407539
7-chloro-11,11-dimethylbenzo[a]fluorene
CID 159699272
2-[4-(11,11-diphenylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 168776834
4-[12-(4-hydroxyphenyl)-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenol
CID 145326544
3-[7-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]fluoren-7-yl]pyridine
CID 150758755
8-chlorospiro[benzo[c]fluorene-7,9'-fluorene]
CID 165158278
2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine
CID 153406391
4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-11-phenylbenzo[a]fluoren-11-yl]benzonitrile
CID 171421659
7-bromospiro[benzo[a]fluorene-11,9'-fluorene]
CID 134194078
7-chloro-11,11-diphenylfluoreno[3,2-b][1]benzothiole
CID 163413973
4-(5-chloro-7-phenylbenzo[c]fluoren-7-yl)pyridine
CID 153406376
11,11-diphenyl-4-pyren-1-ylbenzo[a]fluorene
CID 159765639

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine?
The IUPAC name of 3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine (CID 153406387) is 3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine.
What is the SMILES notation for 3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine?
The canonical SMILES for 3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine is Clc1cccc2c1-c1ccc3ccccc3c1C2(c1ccccc1)c1cccnc1.
What is the InChIKey of 3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine?
The InChIKey is ZEBOHYWEQHQECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClN/c29-25-14-6-13-24-26(25)23-16-15-19-8-4-5-12-22(19)27(23)28(24,20-9-2-1-3-10-20)21-11-7-17-30-18-21/h1-18H.
What are the key properties of 3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine?
3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine has a molecular weight of 403.91 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine is sourced from PubChem (CID 153406387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).