2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline

C39H29N2OP — CID 134470948

IUPAC2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
SMILESCC1(C)c2cc(-c3ccc4ccc5cccnc5c4n3)ccc2-c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C39H29N2OP/c1-39(2)34-24-28(36-22-18-27-16-15-26-10-9-23-40-37(26)38(27)41-36)17-20-32(34)33-21-19-31(25-35(33)39)43(42,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-25H,1-2H3
InChIKeyQNCTTWBQLDQQFW-UHFFFAOYSA-N
MW572.65 g/mol
LogP8.40
Rot. Bonds4

About 2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline

2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline (PubChem CID 134470948) has the molecular formula C39H29N2OP and a molecular weight of 572.65 g/mol. Its IUPAC name is 2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
PubChem CID134470948
Molecular FormulaC39H29N2OP
Molecular Weight572.65 g/mol
Exact Mass572.20
IUPAC Name2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
SMILESCC1(C)c2cc(-c3ccc4ccc5cccnc5c4n3)ccc2-c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C39H29N2OP/c1-39(2)34-24-28(36-22-18-27-16-15-26-10-9-23-40-37(26)38(27)41-36)17-20-32(34)33-21-19-31(25-35(33)39)43(42,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-25H,1-2H3
InChIKeyQNCTTWBQLDQQFW-UHFFFAOYSA-N
XLogP8.40
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.65
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline
CID 134470932
2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline
CID 134470904
2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline
CID 134470905
2-[6-(6-diphenylphosphorylnaphthalen-2-yl)pyren-1-yl]-1,10-phenanthroline
CID 134470914
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 59297216
2-[17,29-bis(1,10-phenanthrolin-2-yl)-4-nonacyclo[12.12.12.01,14.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2(7),3,5,8,10,12,15(20),16,18,21,23,25,27(32),28,30,33,35,37-octadecaenyl]-1,10-phenanthroline
CID 59096375
2-[9-(4-diphenylphosphorylphenyl)dibenzothiophen-2-yl]-1,10-phenanthroline
CID 142462478
2-(6-diphenylphosphoryl-9,10-dinaphthalen-2-ylanthracen-2-yl)-1,10-phenanthroline;2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline;2-[6-(4-diphenylphosphorylnaphthalen-1-yl)-9,10-diphenylanthracen-2-yl]-1,10-phenanthroline;2-[6-(4-diphenylphosphorylphenyl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-1,10-phenanthroline
CID 159461777
2-(9,9-dimethylfluoren-2-yl)-9-(3-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 134167401
2-(9,9-dimethylthioxanthen-3-yl)-1,10-phenanthroline
CID 163535087
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250
5-[9,9-dimethyl-7-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)fluoren-2-yl]-10-phenylbenzo[g]quinoline
CID 59183207

Frequently Asked Questions

What is the IUPAC name of 2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline?
The IUPAC name of 2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline (CID 134470948) is 2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline is CC1(C)c2cc(-c3ccc4ccc5cccnc5c4n3)ccc2-c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline?
The InChIKey is QNCTTWBQLDQQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N2OP/c1-39(2)34-24-28(36-22-18-27-16-15-26-10-9-23-40-37(26)38(27)41-36)17-20-32(34)33-21-19-31(25-35(33)39)43(42,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-25H,1-2H3.
What are the key properties of 2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline?
2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline has a molecular weight of 572.65 g/mol, XLogP of 8.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 134470948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).