2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline

C54H42N2 — CID 123682160

IUPAC2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)c4ccc5c(c4n3)NC(c3ccc4c(c3)C(C)(C)c3ccccc3-4)C=C5c3ccccc3)cc21
InChIInChI=1S/C54H42N2/c1-53(2)45-21-13-11-19-37(45)39-25-23-35(29-47(39)53)49-31-43(33-15-7-5-8-16-33)41-27-28-42-44(34-17-9-6-10-18-34)32-50(56-52(42)51(41)55-49)36-24-26-40-38-20-12-14-22-46(38)54(3,4)48(40)30-36/h5-32,49,55H,1-4H3
InChIKeyPHLLWYVOYWTJGQ-UHFFFAOYSA-N
MW718.94 g/mol
LogP13.78
Rot. Bonds4

About 2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline

2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline (PubChem CID 123682160) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is 2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline
PubChem CID123682160
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC Name2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)c4ccc5c(c4n3)NC(c3ccc4c(c3)C(C)(C)c3ccccc3-4)C=C5c3ccccc3)cc21
InChIInChI=1S/C54H42N2/c1-53(2)45-21-13-11-19-37(45)39-25-23-35(29-47(39)53)49-31-43(33-15-7-5-8-16-33)41-27-28-42-44(34-17-9-6-10-18-34)32-50(56-52(42)51(41)55-49)36-24-26-40-38-20-12-14-22-46(38)54(3,4)48(40)30-36/h5-32,49,55H,1-4H3
InChIKeyPHLLWYVOYWTJGQ-UHFFFAOYSA-N
XLogP13.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 513.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline with MolForge

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Related Compounds

2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline
CID 126695211
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,9-diphenyl-1,10-phenanthroline
CID 165384497
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine
CID 130355500
6-(9,9-dimethylfluoren-2-yl)-2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-phenylpyridine
CID 58881124
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 59297216
2,9-dichloro-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline
CID 170133592
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)benzo[h]quinoline
CID 70836427
2,9-bis(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydro-1,10-phenanthroline
CID 91581464
3-(9,9-dimethylfluoren-2-yl)-1,6-diphenylpyrene
CID 123577752
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942127
4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 162183501

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline?
The IUPAC name of 2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline (CID 123682160) is 2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline?
The canonical SMILES for 2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)c4ccc5c(c4n3)NC(c3ccc4c(c3)C(C)(C)c3ccccc3-4)C=C5c3ccccc3)cc21.
What is the InChIKey of 2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline?
The InChIKey is PHLLWYVOYWTJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2/c1-53(2)45-21-13-11-19-37(45)39-25-23-35(29-47(39)53)49-31-43(33-15-7-5-8-16-33)41-27-28-42-44(34-17-9-6-10-18-34)32-50(56-52(42)51(41)55-49)36-24-26-40-38-20-12-14-22-46(38)54(3,4)48(40)30-36/h5-32,49,55H,1-4H3.
What are the key properties of 2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline?
2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline has a molecular weight of 718.94 g/mol, XLogP of 13.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,2-dihydro-1,10-phenanthroline is sourced from PubChem (CID 123682160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).