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

C30H20ClN — CID 137452024

IUPAC2-[3-[9-(3-chlorophenyl)fluoren-9-yl]phenyl]pyridine
SMILESClc1cccc(C2(c3cccc(-c4ccccn4)c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C30H20ClN/c31-24-12-8-11-23(20-24)30(22-10-7-9-21(19-22)29-17-5-6-18-32-29)27-15-3-1-13-25(27)26-14-2-4-16-28(26)30/h1-20H
InChIKeyBYSIIGMORPZBJU-UHFFFAOYSA-N
MW429.95 g/mol
LogP7.77
Rot. Bonds3

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

2-[3-[9-(3-chlorophenyl)fluoren-9-yl]phenyl]pyridine (PubChem CID 137452024) has the molecular formula C30H20ClN and a molecular weight of 429.95 g/mol. Its IUPAC name is 2-[3-[9-(3-chlorophenyl)fluoren-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[9-(3-chlorophenyl)fluoren-9-yl]phenyl]pyridine
PubChem CID137452024
Molecular FormulaC30H20ClN
Molecular Weight429.95 g/mol
Exact Mass429.13
IUPAC Name2-[3-[9-(3-chlorophenyl)fluoren-9-yl]phenyl]pyridine
SMILESClc1cccc(C2(c3cccc(-c4ccccn4)c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C30H20ClN/c31-24-12-8-11-23(20-24)30(22-10-7-9-21(19-22)29-17-5-6-18-32-29)27-15-3-1-13-25(27)26-14-2-4-16-28(26)30/h1-20H
InChIKeyBYSIIGMORPZBJU-UHFFFAOYSA-N
XLogP7.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-(3-chlorophenyl)fluoren-9-yl]phenyl]pyridine?
The IUPAC name of 2-[3-[9-(3-chlorophenyl)fluoren-9-yl]phenyl]pyridine (CID 137452024) is 2-[3-[9-(3-chlorophenyl)fluoren-9-yl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[9-(3-chlorophenyl)fluoren-9-yl]phenyl]pyridine?
The canonical SMILES for 2-[3-[9-(3-chlorophenyl)fluoren-9-yl]phenyl]pyridine is Clc1cccc(C2(c3cccc(-c4ccccn4)c3)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 2-[3-[9-(3-chlorophenyl)fluoren-9-yl]phenyl]pyridine?
The InChIKey is BYSIIGMORPZBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20ClN/c31-24-12-8-11-23(20-24)30(22-10-7-9-21(19-22)29-17-5-6-18-32-29)27-15-3-1-13-25(27)26-14-2-4-16-28(26)30/h1-20H.
What are the key properties of 2-[3-[9-(3-chlorophenyl)fluoren-9-yl]phenyl]pyridine?
2-[3-[9-(3-chlorophenyl)fluoren-9-yl]phenyl]pyridine has a molecular weight of 429.95 g/mol, XLogP of 7.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9-(3-chlorophenyl)fluoren-9-yl]phenyl]pyridine is sourced from PubChem (CID 137452024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).