2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline

C48H31N3 — CID 142453495

IUPAC2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5-c5ccccn5)-c5ccccc5C6(c5ccccc5)c5ccccc5)nc4c3n2)cc1
InChIInChI=1S/C48H31N3/c1-4-14-32(15-5-1)41-29-25-33-23-24-34-26-30-42(51-47(34)46(33)50-41)38-27-28-40-44(45(38)43-22-12-13-31-49-43)37-20-10-11-21-39(37)48(40,35-16-6-2-7-17-35)36-18-8-3-9-19-36/h1-31H
InChIKeyLWLCUPBYSGEVEO-UHFFFAOYSA-N
MW649.80 g/mol
LogP11.54
Rot. Bonds5

About 2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline

2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline (PubChem CID 142453495) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline
PubChem CID142453495
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5-c5ccccn5)-c5ccccc5C6(c5ccccc5)c5ccccc5)nc4c3n2)cc1
InChIInChI=1S/C48H31N3/c1-4-14-32(15-5-1)41-29-25-33-23-24-34-26-30-42(51-47(34)46(33)50-41)38-27-28-40-44(45(38)43-22-12-13-31-49-43)37-20-10-11-21-39(37)48(40,35-16-6-2-7-17-35)36-18-8-3-9-19-36/h1-31H
InChIKeyLWLCUPBYSGEVEO-UHFFFAOYSA-N
XLogP11.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline
CID 171732305
2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 171732044
2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline
CID 165152115
2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline
CID 142453659
2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 138739023
14-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129124304
14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129124284
1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole
CID 142453505
2-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-1-phenylbenzimidazole
CID 142453579
2-[9,9-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-1-yl]-1,10-phenanthroline
CID 142453578
2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 148899116
2-(9,9-dimethyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-dimethyl-6-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-5-triphenylen-2-ylfluoren-2-yl)-1,10-phenanthroline;2-(9,9-diphenyl-6-triphenylen-2-ylfluoren-3-yl)-1,10-phenanthroline;2-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,10-phenanthroline;2-(6-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)-1,10-phenanthroline
CID 159539270

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline?
The IUPAC name of 2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline (CID 142453495) is 2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5-c5ccccn5)-c5ccccc5C6(c5ccccc5)c5ccccc5)nc4c3n2)cc1.
What is the InChIKey of 2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline?
The InChIKey is LWLCUPBYSGEVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-4-14-32(15-5-1)41-29-25-33-23-24-34-26-30-42(51-47(34)46(33)50-41)38-27-28-40-44(45(38)43-22-12-13-31-49-43)37-20-10-11-21-39(37)48(40,35-16-6-2-7-17-35)36-18-8-3-9-19-36/h1-31H.
What are the key properties of 2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline?
2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline has a molecular weight of 649.80 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 142453495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).