2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene

C60H46 — CID 58881189

IUPAC2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
SMILESCC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)ccc3-4)ccc2-c2ccc(-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C60H46/c1-59(2)55-35-43(25-30-50(55)52-32-27-45(37-57(52)59)48-23-15-14-22-47(48)40-18-10-6-11-19-40)44-26-31-51-53-33-28-46(38-58(53)60(3,4)56(51)36-44)54-34-42(39-16-8-5-9-17-39)24-29-49(54)41-20-12-7-13-21-41/h5-38H,1-4H3
InChIKeyILIYIGZQAJKUGP-UHFFFAOYSA-N
MW767.03 g/mol
LogP16.30
Rot. Bonds6

About 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene

2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene (PubChem CID 58881189) has the molecular formula C60H46 and a molecular weight of 767.03 g/mol. Its IUPAC name is 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
PubChem CID58881189
Molecular FormulaC60H46
Molecular Weight767.03 g/mol
Exact Mass766.36
IUPAC Name2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
SMILESCC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)ccc3-4)ccc2-c2ccc(-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C60H46/c1-59(2)55-35-43(25-30-50(55)52-32-27-45(37-57(52)59)48-23-15-14-22-47(48)40-18-10-6-11-19-40)44-26-31-51-53-33-28-46(38-58(53)60(3,4)56(51)36-44)54-34-42(39-16-8-5-9-17-39)24-29-49(54)41-20-12-7-13-21-41/h5-38H,1-4H3
InChIKeyILIYIGZQAJKUGP-UHFFFAOYSA-N
XLogP16.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.03
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881185
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[7-(2,3-diphenylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881223
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-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146187818
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 121477343
9,9,10,10-tetramethyl-2,6-bis(2-phenylphenyl)anthracene
CID 59649045
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline;4-(9,9-dimethylfluoren-2-yl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 159257633
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-phenylphenyl]pyridine
CID 58880979

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene?
The IUPAC name of 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene (CID 58881189) is 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene?
The canonical SMILES for 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene is CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)ccc3-4)ccc2-c2ccc(-c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene?
The InChIKey is ILIYIGZQAJKUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46/c1-59(2)55-35-43(25-30-50(55)52-32-27-45(37-57(52)59)48-23-15-14-22-47(48)40-18-10-6-11-19-40)44-26-31-51-53-33-28-46(38-58(53)60(3,4)56(51)36-44)54-34-42(39-16-8-5-9-17-39)24-29-49(54)41-20-12-7-13-21-41/h5-38H,1-4H3.
What are the key properties of 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene?
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene has a molecular weight of 767.03 g/mol, XLogP of 16.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 58881189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).