3-[9-[4-(2-chlorophenyl)phenyl]-3-fluorofluoren-9-yl]pyridine

C30H19ClFN — CID 169293022

IUPAC3-[9-[4-(2-chlorophenyl)phenyl]-3-fluorofluoren-9-yl]pyridine
SMILESFc1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2ccccc2Cl)cc1)c1cccnc1
InChIInChI=1S/C30H19ClFN/c31-29-10-4-2-7-24(29)20-11-13-21(14-12-20)30(22-6-5-17-33-19-22)27-9-3-1-8-25(27)26-18-23(32)15-16-28(26)30/h1-19H
InChIKeyMXTAKDCAOHYXJO-UHFFFAOYSA-N
MW447.94 g/mol
LogP7.90
Rot. Bonds3

About 3-[9-[4-(2-chlorophenyl)phenyl]-3-fluorofluoren-9-yl]pyridine

3-[9-[4-(2-chlorophenyl)phenyl]-3-fluorofluoren-9-yl]pyridine (PubChem CID 169293022) has the molecular formula C30H19ClFN and a molecular weight of 447.94 g/mol. Its IUPAC name is 3-[9-[4-(2-chlorophenyl)phenyl]-3-fluorofluoren-9-yl]pyridine.

Molecular Properties

Compound Name3-[9-[4-(2-chlorophenyl)phenyl]-3-fluorofluoren-9-yl]pyridine
PubChem CID169293022
Molecular FormulaC30H19ClFN
Molecular Weight447.94 g/mol
Exact Mass447.12
IUPAC Name3-[9-[4-(2-chlorophenyl)phenyl]-3-fluorofluoren-9-yl]pyridine
SMILESFc1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2ccccc2Cl)cc1)c1cccnc1
InChIInChI=1S/C30H19ClFN/c31-29-10-4-2-7-24(29)20-11-13-21(14-12-20)30(22-6-5-17-33-19-22)27-9-3-1-8-25(27)26-18-23(32)15-16-28(26)30/h1-19H
InChIKeyMXTAKDCAOHYXJO-UHFFFAOYSA-N
XLogP7.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.94
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(2-nitrophenyl)-9-phenylfluoren-9-yl]pyridine
CID 135176920
3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785730
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146631972
4-[4-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 146633222
5-[10-(4-phenylphenyl)anthracen-9-yl]-2-(9-phenyl-9-pyridin-3-ylfluoren-2-yl)pyridine
CID 153288485
3-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]pyridine
CID 138574269
3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116760
3,9,9-triphenylfluorene
CID 140844354
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-9,9-dipyridin-3-ylfluoren-2-amine
CID 118245852
7-(4-chloro-9-phenylfluoren-9-yl)isoquinoline
CID 153407539
4-(9-phenylfluoren-9-yl)pyridine
CID 130393979
9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine
CID 140899053

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(2-chlorophenyl)phenyl]-3-fluorofluoren-9-yl]pyridine?
The IUPAC name of 3-[9-[4-(2-chlorophenyl)phenyl]-3-fluorofluoren-9-yl]pyridine (CID 169293022) is 3-[9-[4-(2-chlorophenyl)phenyl]-3-fluorofluoren-9-yl]pyridine.
What is the SMILES notation for 3-[9-[4-(2-chlorophenyl)phenyl]-3-fluorofluoren-9-yl]pyridine?
The canonical SMILES for 3-[9-[4-(2-chlorophenyl)phenyl]-3-fluorofluoren-9-yl]pyridine is Fc1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2ccccc2Cl)cc1)c1cccnc1.
What is the InChIKey of 3-[9-[4-(2-chlorophenyl)phenyl]-3-fluorofluoren-9-yl]pyridine?
The InChIKey is MXTAKDCAOHYXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19ClFN/c31-29-10-4-2-7-24(29)20-11-13-21(14-12-20)30(22-6-5-17-33-19-22)27-9-3-1-8-25(27)26-18-23(32)15-16-28(26)30/h1-19H.
What are the key properties of 3-[9-[4-(2-chlorophenyl)phenyl]-3-fluorofluoren-9-yl]pyridine?
3-[9-[4-(2-chlorophenyl)phenyl]-3-fluorofluoren-9-yl]pyridine has a molecular weight of 447.94 g/mol, XLogP of 7.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(2-chlorophenyl)phenyl]-3-fluorofluoren-9-yl]pyridine is sourced from PubChem (CID 169293022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).