2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene

C62H46 — CID 123207992

IUPAC2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
SMILESCC1(C)c2cc(-c3cccc(-c4ccccc4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)ccc3-4)cc21
InChIInChI=1S/C62H46/c1-61(2)57-35-49(43-16-10-15-42(31-43)39-11-6-5-7-12-39)23-27-53(57)55-29-25-51(37-59(55)61)52-26-30-56-54-28-24-50(36-58(54)62(3,4)60(56)38-52)48-22-21-46-33-45(19-20-47(46)34-48)44-18-17-40-13-8-9-14-41(40)32-44/h5-38H,1-4H3
InChIKeyLORLKEMWHSHFGS-UHFFFAOYSA-N
MW791.05 g/mol
LogP16.94
Rot. Bonds5

About 2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene

2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene (PubChem CID 123207992) has the molecular formula C62H46 and a molecular weight of 791.05 g/mol. Its IUPAC name is 2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene.

Molecular Properties

Compound Name2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
PubChem CID123207992
Molecular FormulaC62H46
Molecular Weight791.05 g/mol
Exact Mass790.36
IUPAC Name2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
SMILESCC1(C)c2cc(-c3cccc(-c4ccccc4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)ccc3-4)cc21
InChIInChI=1S/C62H46/c1-61(2)57-35-49(43-16-10-15-42(31-43)39-11-6-5-7-12-39)23-27-53(57)55-29-25-51(37-59(55)61)52-26-30-56-54-28-24-50(36-58(54)62(3,4)60(56)38-52)48-22-21-46-33-45(19-20-47(46)34-48)44-18-17-40-13-8-9-14-41(40)32-44/h5-38H,1-4H3
InChIKeyLORLKEMWHSHFGS-UHFFFAOYSA-N
XLogP16.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.05
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
CID 140710753
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene
CID 58569367
1-[3-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenylphenyl]phenyl]pyrene
CID 59217234
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59725436
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
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-[3-(9,9-dimethylfluoren-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]pyrene
CID 123253774

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene?
The IUPAC name of 2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene (CID 123207992) is 2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene.
What is the SMILES notation for 2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene?
The canonical SMILES for 2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene is CC1(C)c2cc(-c3cccc(-c4ccccc4)c3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)ccc3-4)cc21.
What is the InChIKey of 2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene?
The InChIKey is LORLKEMWHSHFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46/c1-61(2)57-35-49(43-16-10-15-42(31-43)39-11-6-5-7-12-39)23-27-53(57)55-29-25-51(37-59(55)61)52-26-30-56-54-28-24-50(36-58(54)62(3,4)60(56)38-52)48-22-21-46-33-45(19-20-47(46)34-48)44-18-17-40-13-8-9-14-41(40)32-44/h5-38H,1-4H3.
What are the key properties of 2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene?
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene has a molecular weight of 791.05 g/mol, XLogP of 16.94, 5 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-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene is sourced from PubChem (CID 123207992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).