1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene

C43H33OP — CID 164937828

IUPAC1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene
SMILESCC1(C)c2cc(-c3ccc4c5c3C=CC3=CC=CC(=CC4)C35)ccc2-c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C43H33OP/c1-43(2)39-26-31(35-22-18-30-17-16-28-10-9-11-29-19-24-38(35)42(30)41(28)29)20-23-36(39)37-25-21-34(27-40(37)43)45(44,32-12-5-3-6-13-32)33-14-7-4-8-15-33/h3-16,18-27,41H,17H2,1-2H3
InChIKeyFZPIRWFSQRKPEJ-UHFFFAOYSA-N
MW596.71 g/mol
LogP9.39
Rot. Bonds4

About 1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene

1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene (PubChem CID 164937828) has the molecular formula C43H33OP and a molecular weight of 596.71 g/mol. Its IUPAC name is 1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene.

Molecular Properties

Compound Name1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene
PubChem CID164937828
Molecular FormulaC43H33OP
Molecular Weight596.71 g/mol
Exact Mass596.23
IUPAC Name1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene
SMILESCC1(C)c2cc(-c3ccc4c5c3C=CC3=CC=CC(=CC4)C35)ccc2-c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C43H33OP/c1-43(2)39-26-31(35-22-18-30-17-16-28-10-9-11-29-19-24-38(35)42(30)41(28)29)20-23-36(39)37-25-21-34(27-40(37)43)45(44,32-12-5-3-6-13-32)33-14-7-4-8-15-33/h3-16,18-27,41H,17H2,1-2H3
InChIKeyFZPIRWFSQRKPEJ-UHFFFAOYSA-N
XLogP9.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.71
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-4,10c-dihydropyrene
CID 171739934
3-[4-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-4,10c-dihydropyrene
CID 123571450
20-diphenylphosphoryl-23,23-dimethylhexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 138741697
1-[4-[4-[4-[7-[7-[4-[4-[4-(10,10c-dihydropyren-1-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-10b,10c-dihydropyrene
CID 123595825
2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 134470948
3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene
CID 58758028
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
2',7'-bis(4-diphenylphosphorylphenyl)-9,9'-spirobi[fluorene]
CID 176589935
7-[(7-isocyano-9,9-dimethylfluoren-2-yl)-phenylphosphoryl]-9,9-dimethylfluorene-2-carbonitrile
CID 140877475
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
3-[9-methyl-7-[(9-methyl-9-phenyl-7-pyridin-3-ylfluoren-2-yl)-phenylphosphoryl]-9-phenylfluoren-2-yl]pyridine
CID 134596151

Frequently Asked Questions

What is the IUPAC name of 1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene?
The IUPAC name of 1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene (CID 164937828) is 1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene.
What is the SMILES notation for 1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene?
The canonical SMILES for 1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene is CC1(C)c2cc(-c3ccc4c5c3C=CC3=CC=CC(=CC4)C35)ccc2-c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene?
The InChIKey is FZPIRWFSQRKPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33OP/c1-43(2)39-26-31(35-22-18-30-17-16-28-10-9-11-29-19-24-38(35)42(30)41(28)29)20-23-36(39)37-25-21-34(27-40(37)43)45(44,32-12-5-3-6-13-32)33-14-7-4-8-15-33/h3-16,18-27,41H,17H2,1-2H3.
What are the key properties of 1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene?
1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene has a molecular weight of 596.71 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-4,10c-dihydropyrene is sourced from PubChem (CID 164937828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).