2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline

C49H32N2 — CID 142453659

IUPAC2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cc6c(cc5-c5ccccc5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)nc4c3n2)cc1
InChIInChI=1S/C49H32N2/c1-5-15-33(16-6-1)40-32-44-41(39-23-13-14-24-43(39)49(44,37-19-9-3-10-20-37)38-21-11-4-12-22-38)31-42(40)46-30-28-36-26-25-35-27-29-45(34-17-7-2-8-18-34)50-47(35)48(36)51-46/h1-32H
InChIKeyYOFDIMQFONKKAY-UHFFFAOYSA-N
MW648.81 g/mol
LogP12.15
Rot. Bonds5

About 2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline

2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline (PubChem CID 142453659) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline
PubChem CID142453659
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cc6c(cc5-c5ccccc5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)nc4c3n2)cc1
InChIInChI=1S/C49H32N2/c1-5-15-33(16-6-1)40-32-44-41(39-23-13-14-24-43(39)49(44,37-19-9-3-10-20-37)38-21-11-4-12-22-38)31-42(40)46-30-28-36-26-25-35-27-29-45(34-17-7-2-8-18-34)50-47(35)48(36)51-46/h1-32H
InChIKeyYOFDIMQFONKKAY-UHFFFAOYSA-N
XLogP12.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-3-yl]benzonitrile
CID 142453679
4-[3-(1,10-phenanthrolin-2-yl)-9,9-diphenylfluoren-2-yl]benzonitrile
CID 142453638
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine
CID 137413883
2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline
CID 142453620
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]-1,3,5-triazine
CID 137413879
2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146367748
2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline
CID 142453502
2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 146367918
2-[9-cyclohepta-1,3,6-trien-1-yl-9-phenyl-2-(4-phenylphenyl)fluoren-3-yl]-1,10-phenanthroline
CID 142453612
2-[4-(9,9-diphenyl-2-pyridin-2-ylfluoren-3-yl)phenyl]pyridine
CID 142453488
2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline
CID 134596702
2-[3-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162099195

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline?
The IUPAC name of 2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline (CID 142453659) is 2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5cc6c(cc5-c5ccccc5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)nc4c3n2)cc1.
What is the InChIKey of 2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline?
The InChIKey is YOFDIMQFONKKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-5-15-33(16-6-1)40-32-44-41(39-23-13-14-24-43(39)49(44,37-19-9-3-10-20-37)38-21-11-4-12-22-38)31-42(40)46-30-28-36-26-25-35-27-29-45(34-17-7-2-8-18-34)50-47(35)48(36)51-46/h1-32H.
What are the key properties of 2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline?
2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline has a molecular weight of 648.81 g/mol, XLogP of 12.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-(2,9,9-triphenylfluoren-3-yl)-1,10-phenanthroline is sourced from PubChem (CID 142453659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).