2-[9,9-bis(5-phenylpentyl)fluoren-2-yl]-4,6-diphenylquinoline

C56H51N — CID 158202817

IUPAC2-[9,9-bis(5-phenylpentyl)fluoren-2-yl]-4,6-diphenylquinoline
SMILESc1ccc(CCCCCC2(CCCCCc3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5ccccc5)c5cc(-c6ccccc6)ccc5n4)cc32)cc1
InChIInChI=1S/C56H51N/c1-7-21-42(22-8-1)25-11-5-19-37-56(38-20-6-12-26-43-23-9-2-10-24-43)52-32-18-17-31-48(52)49-35-33-47(40-53(49)56)55-41-50(45-29-15-4-16-30-45)51-39-46(34-36-54(51)57-55)44-27-13-3-14-28-44/h1-4,7-10,13-18,21-24,27-36,39-41H,5-6,11-12,19-20,25-26,37-38H2
InChIKeyXOILSSKDTGCLHV-UHFFFAOYSA-N
MW738.03 g/mol
LogP15.11
Rot. Bonds15

About 2-[9,9-bis(5-phenylpentyl)fluoren-2-yl]-4,6-diphenylquinoline

2-[9,9-bis(5-phenylpentyl)fluoren-2-yl]-4,6-diphenylquinoline (PubChem CID 158202817) has the molecular formula C56H51N and a molecular weight of 738.03 g/mol. Its IUPAC name is 2-[9,9-bis(5-phenylpentyl)fluoren-2-yl]-4,6-diphenylquinoline.

Molecular Properties

Compound Name2-[9,9-bis(5-phenylpentyl)fluoren-2-yl]-4,6-diphenylquinoline
PubChem CID158202817
Molecular FormulaC56H51N
Molecular Weight738.03 g/mol
Exact Mass737.40
IUPAC Name2-[9,9-bis(5-phenylpentyl)fluoren-2-yl]-4,6-diphenylquinoline
SMILESc1ccc(CCCCCC2(CCCCCc3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5ccccc5)c5cc(-c6ccccc6)ccc5n4)cc32)cc1
InChIInChI=1S/C56H51N/c1-7-21-42(22-8-1)25-11-5-19-37-56(38-20-6-12-26-43-23-9-2-10-24-43)52-32-18-17-31-48(52)49-35-33-47(40-53(49)56)55-41-50(45-29-15-4-16-30-45)51-39-46(34-36-54(51)57-55)44-27-13-3-14-28-44/h1-4,7-10,13-18,21-24,27-36,39-41H,5-6,11-12,19-20,25-26,37-38H2
InChIKeyXOILSSKDTGCLHV-UHFFFAOYSA-N
XLogP15.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.03
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-6-(2,6-dimethylphenyl)-4-[3-(6-phenylhexyl)phenyl]quinoline
CID 161262973
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene
CID 166060136
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
2-(4,6-diphenylpyrimidin-2-yl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine
CID 118345393
2,7-bis(9,9-dioctylfluoren-2-yl)phenanthro[9,10-b]quinoxaline-11-carboxylic acid
CID 101448358
4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine
CID 67471921
2-(4,6-diphenylpyrimidin-2-yl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]pyrimidine
CID 118345693
2-phenyl-9,9-dipropylfluorene
CID 154114384
2,5-bis[4-(9,9-dioctylfluoren-2-yl)phenyl]-1,3,4-oxadiazole
CID 58609302
2,5-bis(9,9-dioctylfluoren-2-yl)-3,6-dihexylpyrazine
CID 59188383
4-(3,5-ditert-butylphenyl)-2-(9,9-dihexylfluoren-2-yl)-6-phenylpyridine
CID 102582736

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-bis(5-phenylpentyl)fluoren-2-yl]-4,6-diphenylquinoline?
The IUPAC name of 2-[9,9-bis(5-phenylpentyl)fluoren-2-yl]-4,6-diphenylquinoline (CID 158202817) is 2-[9,9-bis(5-phenylpentyl)fluoren-2-yl]-4,6-diphenylquinoline.
What is the SMILES notation for 2-[9,9-bis(5-phenylpentyl)fluoren-2-yl]-4,6-diphenylquinoline?
The canonical SMILES for 2-[9,9-bis(5-phenylpentyl)fluoren-2-yl]-4,6-diphenylquinoline is c1ccc(CCCCCC2(CCCCCc3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5ccccc5)c5cc(-c6ccccc6)ccc5n4)cc32)cc1.
What is the InChIKey of 2-[9,9-bis(5-phenylpentyl)fluoren-2-yl]-4,6-diphenylquinoline?
The InChIKey is XOILSSKDTGCLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H51N/c1-7-21-42(22-8-1)25-11-5-19-37-56(38-20-6-12-26-43-23-9-2-10-24-43)52-32-18-17-31-48(52)49-35-33-47(40-53(49)56)55-41-50(45-29-15-4-16-30-45)51-39-46(34-36-54(51)57-55)44-27-13-3-14-28-44/h1-4,7-10,13-18,21-24,27-36,39-41H,5-6,11-12,19-20,25-26,37-38H2.
What are the key properties of 2-[9,9-bis(5-phenylpentyl)fluoren-2-yl]-4,6-diphenylquinoline?
2-[9,9-bis(5-phenylpentyl)fluoren-2-yl]-4,6-diphenylquinoline has a molecular weight of 738.03 g/mol, XLogP of 15.11, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-bis(5-phenylpentyl)fluoren-2-yl]-4,6-diphenylquinoline is sourced from PubChem (CID 158202817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).