2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine

C28H18ClN — CID 153406391

IUPAC2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine
SMILESClc1ccc2c(c1)-c1ccc3ccccc3c1C2(c1ccccc1)c1ccccn1
InChIInChI=1S/C28H18ClN/c29-21-14-16-25-24(18-21)23-15-13-19-8-4-5-11-22(19)27(23)28(25,20-9-2-1-3-10-20)26-12-6-7-17-30-26/h1-18H
InChIKeyVTALMTYCBCPIRI-UHFFFAOYSA-N
MW403.91 g/mol
LogP7.25
Rot. Bonds2

About 2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine

2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine (PubChem CID 153406391) has the molecular formula C28H18ClN and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine.

Molecular Properties

Compound Name2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine
PubChem CID153406391
Molecular FormulaC28H18ClN
Molecular Weight403.91 g/mol
Exact Mass403.11
IUPAC Name2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine
SMILESClc1ccc2c(c1)-c1ccc3ccccc3c1C2(c1ccccc1)c1ccccn1
InChIInChI=1S/C28H18ClN/c29-21-14-16-25-24(18-21)23-15-13-19-8-4-5-11-22(19)27(23)28(25,20-9-2-1-3-10-20)26-12-6-7-17-30-26/h1-18H
InChIKeyVTALMTYCBCPIRI-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

3-(3-chloro-9-phenylfluoren-9-yl)isoquinoline
CID 153407538
2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144854
12-phenyl-12-pyridin-2-yl-5H-indeno[1,2-c]carbazole
CID 135176976
8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene
CID 158761920
9-[4-chloro-2-(9,9-diphenylfluoren-3-yl)phenyl]phenanthrene
CID 139546670
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465679
2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465843
4-[4-(11,11-diphenylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168778731
2-(2-chloro-9-phenylfluoren-9-yl)quinoline
CID 153407496
3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine
CID 153406387
2,4-diphenyl-6-(9-phenyl-9-pyridin-2-ylfluoren-3-yl)pyrimidine
CID 142384952
11-phenyl-11-pyridin-2-yl-5H-indeno[1,2-b]carbazole
CID 135176930

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine?
The IUPAC name of 2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine (CID 153406391) is 2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine.
What is the SMILES notation for 2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine?
The canonical SMILES for 2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine is Clc1ccc2c(c1)-c1ccc3ccccc3c1C2(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine?
The InChIKey is VTALMTYCBCPIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClN/c29-21-14-16-25-24(18-21)23-15-13-19-8-4-5-11-22(19)27(23)28(25,20-9-2-1-3-10-20)26-12-6-7-17-30-26/h1-18H.
What are the key properties of 2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine?
2-(8-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 2-(8-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine is sourced from PubChem (CID 153406391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).