9,9-bis(4-phenylphenyl)-3-(2,2,5,5-tetramethylhexan-3-yl)fluorene

C47H46 — CID 145163313

IUPAC9,9-bis(4-phenylphenyl)-3-(2,2,5,5-tetramethylhexan-3-yl)fluorene
SMILESCC(C)(C)CC(c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)C(C)(C)C
InChIInChI=1S/C47H46/c1-45(2,3)32-44(46(4,5)6)37-25-30-43-41(31-37)40-19-13-14-20-42(40)47(43,38-26-21-35(22-27-38)33-15-9-7-10-16-33)39-28-23-36(24-29-39)34-17-11-8-12-18-34/h7-31,44H,32H2,1-6H3
InChIKeyVXGNULSEGFUKRS-UHFFFAOYSA-N
MW610.89 g/mol
LogP12.95
Rot. Bonds6

About 9,9-bis(4-phenylphenyl)-3-(2,2,5,5-tetramethylhexan-3-yl)fluorene

9,9-bis(4-phenylphenyl)-3-(2,2,5,5-tetramethylhexan-3-yl)fluorene (PubChem CID 145163313) has the molecular formula C47H46 and a molecular weight of 610.89 g/mol. Its IUPAC name is 9,9-bis(4-phenylphenyl)-3-(2,2,5,5-tetramethylhexan-3-yl)fluorene.

Molecular Properties

Compound Name9,9-bis(4-phenylphenyl)-3-(2,2,5,5-tetramethylhexan-3-yl)fluorene
PubChem CID145163313
Molecular FormulaC47H46
Molecular Weight610.89 g/mol
Exact Mass610.36
IUPAC Name9,9-bis(4-phenylphenyl)-3-(2,2,5,5-tetramethylhexan-3-yl)fluorene
SMILESCC(C)(C)CC(c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)C(C)(C)C
InChIInChI=1S/C47H46/c1-45(2,3)32-44(46(4,5)6)37-25-30-43-41(31-37)40-19-13-14-20-42(40)47(43,38-26-21-35(22-27-38)33-15-9-7-10-16-33)39-28-23-36(24-29-39)34-17-11-8-12-18-34/h7-31,44H,32H2,1-6H3
InChIKeyVXGNULSEGFUKRS-UHFFFAOYSA-N
XLogP12.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.89
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]aniline
CID 158740435
3,9,9-triphenylfluorene
CID 140844354
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-[3-[4-[2'-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]phenyl]fluoren-2-amine;N-[4-[2,5-dimethyl-4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 162124031
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 154986884
methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340
2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene
CID 165030326
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine
CID 177067063
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine
CID 166049015
2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450656
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-phenylphenyl)-3-(2,2,5,5-tetramethylhexan-3-yl)fluorene?
The IUPAC name of 9,9-bis(4-phenylphenyl)-3-(2,2,5,5-tetramethylhexan-3-yl)fluorene (CID 145163313) is 9,9-bis(4-phenylphenyl)-3-(2,2,5,5-tetramethylhexan-3-yl)fluorene.
What is the SMILES notation for 9,9-bis(4-phenylphenyl)-3-(2,2,5,5-tetramethylhexan-3-yl)fluorene?
The canonical SMILES for 9,9-bis(4-phenylphenyl)-3-(2,2,5,5-tetramethylhexan-3-yl)fluorene is CC(C)(C)CC(c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)C(C)(C)C.
What is the InChIKey of 9,9-bis(4-phenylphenyl)-3-(2,2,5,5-tetramethylhexan-3-yl)fluorene?
The InChIKey is VXGNULSEGFUKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H46/c1-45(2,3)32-44(46(4,5)6)37-25-30-43-41(31-37)40-19-13-14-20-42(40)47(43,38-26-21-35(22-27-38)33-15-9-7-10-16-33)39-28-23-36(24-29-39)34-17-11-8-12-18-34/h7-31,44H,32H2,1-6H3.
What are the key properties of 9,9-bis(4-phenylphenyl)-3-(2,2,5,5-tetramethylhexan-3-yl)fluorene?
9,9-bis(4-phenylphenyl)-3-(2,2,5,5-tetramethylhexan-3-yl)fluorene has a molecular weight of 610.89 g/mol, XLogP of 12.95, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-phenylphenyl)-3-(2,2,5,5-tetramethylhexan-3-yl)fluorene is sourced from PubChem (CID 145163313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).