2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene

C66H50 — CID 58880971

IUPAC2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccccc7-c7ccccc7)ccc5-6)cc4)cc3)ccc2-c2ccc(-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C66H50/c1-65(2)61-39-49(31-35-57(61)59-37-33-51(41-63(59)65)55-21-13-11-19-53(55)47-15-7-5-8-16-47)45-27-23-43(24-28-45)44-25-29-46(30-26-44)50-32-36-58-60-38-34-52(42-64(60)66(3,4)62(58)40-50)56-22-14-12-20-54(56)48-17-9-6-10-18-48/h5-42H,1-4H3
InChIKeyGIKJKOLPOADCSM-UHFFFAOYSA-N
MW843.13 g/mol
LogP17.97
Rot. Bonds7

About 2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene

2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene (PubChem CID 58880971) has the molecular formula C66H50 and a molecular weight of 843.13 g/mol. Its IUPAC name is 2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene.

Molecular Properties

Compound Name2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
PubChem CID58880971
Molecular FormulaC66H50
Molecular Weight843.13 g/mol
Exact Mass842.39
IUPAC Name2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccccc7-c7ccccc7)ccc5-6)cc4)cc3)ccc2-c2ccc(-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C66H50/c1-65(2)61-39-49(31-35-57(61)59-37-33-51(41-63(59)65)55-21-13-11-19-53(55)47-15-7-5-8-16-47)45-27-23-43(24-28-45)44-25-29-46(30-26-44)50-32-36-58-60-38-34-52(42-64(60)66(3,4)62(58)40-50)56-22-14-12-20-54(56)48-17-9-6-10-18-48/h5-42H,1-4H3
InChIKeyGIKJKOLPOADCSM-UHFFFAOYSA-N
XLogP17.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.13
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
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-[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-(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
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-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene
CID 86722507
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene
CID 123805916
1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene
CID 156656915
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 121477343

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene?
The IUPAC name of 2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene (CID 58880971) is 2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene.
What is the SMILES notation for 2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene?
The canonical SMILES for 2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene is CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccccc7-c7ccccc7)ccc5-6)cc4)cc3)ccc2-c2ccc(-c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene?
The InChIKey is GIKJKOLPOADCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50/c1-65(2)61-39-49(31-35-57(61)59-37-33-51(41-63(59)65)55-21-13-11-19-53(55)47-15-7-5-8-16-47)45-27-23-43(24-28-45)44-25-29-46(30-26-44)50-32-36-58-60-38-34-52(42-64(60)66(3,4)62(58)40-50)56-22-14-12-20-54(56)48-17-9-6-10-18-48/h5-42H,1-4H3.
What are the key properties of 2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene?
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene has a molecular weight of 843.13 g/mol, XLogP of 17.97, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene is sourced from PubChem (CID 58880971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).