6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]phosphoryl-3-(7,9,9-trimethylfluoren-2-yl)-1,2-dihydropyridine

C63H54NOP — CID 131994025

IUPAC6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]phosphoryl-3-(7,9,9-trimethylfluoren-2-yl)-1,2-dihydropyridine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C3=CC=C(P(=O)(c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)NC3)ccc1-2
InChIInChI=1S/C63H54NOP/c1-39-16-29-50-53-32-23-44(37-59(53)63(6,7)56(50)34-39)45-24-33-60(64-38-45)66(65,46-25-17-40(18-26-46)42-21-30-51-48-12-8-10-14-54(48)61(2,3)57(51)35-42)47-27-19-41(20-28-47)43-22-31-52-49-13-9-11-15-55(49)62(4,5)58(52)36-43/h8-37,64H,38H2,1-7H3
InChIKeyUBSYTFWCKRWMEY-UHFFFAOYSA-N
MW872.11 g/mol
LogP15.09
Rot. Bonds6

About 6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]phosphoryl-3-(7,9,9-trimethylfluoren-2-yl)-1,2-dihydropyridine

6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]phosphoryl-3-(7,9,9-trimethylfluoren-2-yl)-1,2-dihydropyridine (PubChem CID 131994025) has the molecular formula C63H54NOP and a molecular weight of 872.11 g/mol. Its IUPAC name is 6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]phosphoryl-3-(7,9,9-trimethylfluoren-2-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]phosphoryl-3-(7,9,9-trimethylfluoren-2-yl)-1,2-dihydropyridine
PubChem CID131994025
Molecular FormulaC63H54NOP
Molecular Weight872.11 g/mol
Exact Mass871.39
IUPAC Name6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]phosphoryl-3-(7,9,9-trimethylfluoren-2-yl)-1,2-dihydropyridine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C3=CC=C(P(=O)(c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)NC3)ccc1-2
InChIInChI=1S/C63H54NOP/c1-39-16-29-50-53-32-23-44(37-59(53)63(6,7)56(50)34-39)45-24-33-60(64-38-45)66(65,46-25-17-40(18-26-46)42-21-30-51-48-12-8-10-14-54(48)61(2,3)57(51)35-42)47-27-19-41(20-28-47)43-22-31-52-49-13-9-11-15-55(49)62(4,5)58(52)36-43/h8-37,64H,38H2,1-7H3
InChIKeyUBSYTFWCKRWMEY-UHFFFAOYSA-N
XLogP15.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.11
LogP ≤ 515.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene
CID 142541100
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane
CID 144583357
2-methylnaphthalene;2,9,9-trimethylfluorene
CID 144639676
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766

Frequently Asked Questions

What is the IUPAC name of 6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]phosphoryl-3-(7,9,9-trimethylfluoren-2-yl)-1,2-dihydropyridine?
The IUPAC name of 6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]phosphoryl-3-(7,9,9-trimethylfluoren-2-yl)-1,2-dihydropyridine (CID 131994025) is 6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]phosphoryl-3-(7,9,9-trimethylfluoren-2-yl)-1,2-dihydropyridine.
What is the SMILES notation for 6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]phosphoryl-3-(7,9,9-trimethylfluoren-2-yl)-1,2-dihydropyridine?
The canonical SMILES for 6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]phosphoryl-3-(7,9,9-trimethylfluoren-2-yl)-1,2-dihydropyridine is Cc1ccc2c(c1)C(C)(C)c1cc(C3=CC=C(P(=O)(c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)NC3)ccc1-2.
What is the InChIKey of 6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]phosphoryl-3-(7,9,9-trimethylfluoren-2-yl)-1,2-dihydropyridine?
The InChIKey is UBSYTFWCKRWMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H54NOP/c1-39-16-29-50-53-32-23-44(37-59(53)63(6,7)56(50)34-39)45-24-33-60(64-38-45)66(65,46-25-17-40(18-26-46)42-21-30-51-48-12-8-10-14-54(48)61(2,3)57(51)35-42)47-27-19-41(20-28-47)43-22-31-52-49-13-9-11-15-55(49)62(4,5)58(52)36-43/h8-37,64H,38H2,1-7H3.
What are the key properties of 6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]phosphoryl-3-(7,9,9-trimethylfluoren-2-yl)-1,2-dihydropyridine?
6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]phosphoryl-3-(7,9,9-trimethylfluoren-2-yl)-1,2-dihydropyridine has a molecular weight of 872.11 g/mol, XLogP of 15.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]phosphoryl-3-(7,9,9-trimethylfluoren-2-yl)-1,2-dihydropyridine is sourced from PubChem (CID 131994025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).