2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine

C46H31N3 — CID 151524668

IUPAC2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine
SMILESc1ccc(-c2cccnc2-c2cc3c(c(-c4ncccc4-c4ccccc4)c2-c2ncccc2-c2ccccc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C46H31N3/c1-4-15-31(16-5-1)36-23-12-26-47-44(36)41-30-39-35-22-11-10-21-34(35)29-40(39)42(45-37(24-13-27-48-45)32-17-6-2-7-18-32)43(41)46-38(25-14-28-49-46)33-19-8-3-9-20-33/h1-28,30H,29H2
InChIKeyPVEVJGUMDVTGNW-UHFFFAOYSA-N
MW625.78 g/mol
LogP11.44
Rot. Bonds6

About 2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine

2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine (PubChem CID 151524668) has the molecular formula C46H31N3 and a molecular weight of 625.78 g/mol. Its IUPAC name is 2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine.

Molecular Properties

Compound Name2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine
PubChem CID151524668
Molecular FormulaC46H31N3
Molecular Weight625.78 g/mol
Exact Mass625.25
IUPAC Name2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine
SMILESc1ccc(-c2cccnc2-c2cc3c(c(-c4ncccc4-c4ccccc4)c2-c2ncccc2-c2ccccc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C46H31N3/c1-4-15-31(16-5-1)36-23-12-26-47-44(36)41-30-39-35-22-11-10-21-34(35)29-40(39)42(45-37(24-13-27-48-45)32-17-6-2-7-18-32)43(41)46-38(25-14-28-49-46)33-19-8-3-9-20-33/h1-28,30H,29H2
InChIKeyPVEVJGUMDVTGNW-UHFFFAOYSA-N
XLogP11.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.78
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene
CID 150549233
2-[1,3-bis(3-phenyl-2-pyridinyl)anthracen-2-yl]-3-phenylpyridine
CID 150445495
2-(3-phenyl-2-pyridinyl)pyrimidine
CID 67877581
1-(9H-fluoren-9-yl)-2,3-diphenyl-9H-fluorene
CID 150323539
3,4-diphenyl-5H-indeno[1,2-b]pyridine
CID 71411540
2,3-diphenyl-1-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 151214779
6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5H-indeno[1,2-b]pyridine
CID 118243330
2,4-bis(4-phenylphenyl)-6-[4-(3-phenyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 156692460
2-(2-phenyl-3-pyridinyl)pyrimidine
CID 58421043
3-phenyl-2-pyridin-3-ylpyridine
CID 140510629
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
2,4-diphenyl-6-[3-[3-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685413

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine?
The IUPAC name of 2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine (CID 151524668) is 2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine.
What is the SMILES notation for 2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine?
The canonical SMILES for 2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine is c1ccc(-c2cccnc2-c2cc3c(c(-c4ncccc4-c4ccccc4)c2-c2ncccc2-c2ccccc2)Cc2ccccc2-3)cc1.
What is the InChIKey of 2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine?
The InChIKey is PVEVJGUMDVTGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3/c1-4-15-31(16-5-1)36-23-12-26-47-44(36)41-30-39-35-22-11-10-21-34(35)29-40(39)42(45-37(24-13-27-48-45)32-17-6-2-7-18-32)43(41)46-38(25-14-28-49-46)33-19-8-3-9-20-33/h1-28,30H,29H2.
What are the key properties of 2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine?
2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine has a molecular weight of 625.78 g/mol, XLogP of 11.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine is sourced from PubChem (CID 151524668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).