2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene

C76H66O4 — CID 59858743

IUPAC2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
SMILESCOc1ccc2c(c1)C(C)(C)c1cc(-c3cc(-c4cc(-c5ccc6c(c5)C(C)(C)c5cc(OC)ccc5-6)cc(-c5ccc6c(c5)C(C)(C)c5cc(OC)ccc5-6)c4)cc(-c4ccc5c(c4)C(C)(C)c4cc(OC)ccc4-5)c3)ccc1-2
InChIInChI=1S/C76H66O4/c1-73(2)65-35-43(13-21-57(65)61-25-17-53(77-9)39-69(61)73)47-29-48(44-14-22-58-62-26-18-54(78-10)40-70(62)74(3,4)66(58)36-44)32-51(31-47)52-33-49(45-15-23-59-63-27-19-55(79-11)41-71(63)75(5,6)67(59)37-45)30-50(34-52)46-16-24-60-64-28-20-56(80-12)42-72(64)76(7,8)68(60)38-46/h13-42H,1-12H3
InChIKeyGKXKJYRQXUVRHK-UHFFFAOYSA-N
MW1043.36 g/mol
LogP19.28
Rot. Bonds9

About 2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene

2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene (PubChem CID 59858743) has the molecular formula C76H66O4 and a molecular weight of 1043.36 g/mol. Its IUPAC name is 2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
PubChem CID59858743
Molecular FormulaC76H66O4
Molecular Weight1043.36 g/mol
Exact Mass1042.50
IUPAC Name2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
SMILESCOc1ccc2c(c1)C(C)(C)c1cc(-c3cc(-c4cc(-c5ccc6c(c5)C(C)(C)c5cc(OC)ccc5-6)cc(-c5ccc6c(c5)C(C)(C)c5cc(OC)ccc5-6)c4)cc(-c4ccc5c(c4)C(C)(C)c4cc(OC)ccc4-5)c3)ccc1-2
InChIInChI=1S/C76H66O4/c1-73(2)65-35-43(13-21-57(65)61-25-17-53(77-9)39-69(61)73)47-29-48(44-14-22-58-62-26-18-54(78-10)40-70(62)74(3,4)66(58)36-44)32-51(31-47)52-33-49(45-15-23-59-63-27-19-55(79-11)41-71(63)75(5,6)67(59)37-45)30-50(34-52)46-16-24-60-64-28-20-56(80-12)42-72(64)76(7,8)68(60)38-46/h13-42H,1-12H3
InChIKeyGKXKJYRQXUVRHK-UHFFFAOYSA-N
XLogP19.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.36
LogP ≤ 519.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene with MolForge

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Related Compounds

2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene
CID 90394308
2-[3-[3,5-bis(9,9-diethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858796
9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20822065
2-(9,9-dimethylfluoren-2-yl)-7-[6-(6-methoxynaphthalen-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 90394242
9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene
CID 20822210
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
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
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
7-methoxy-9,9-dimethylfluorene-2-carbaldehyde
CID 59236603
5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene
CID 59002171
2-[4-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methyl]phenyl]-7,9,9-trimethylfluorene
CID 171403470

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene?
The IUPAC name of 2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene (CID 59858743) is 2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene.
What is the SMILES notation for 2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene?
The canonical SMILES for 2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene is COc1ccc2c(c1)C(C)(C)c1cc(-c3cc(-c4cc(-c5ccc6c(c5)C(C)(C)c5cc(OC)ccc5-6)cc(-c5ccc6c(c5)C(C)(C)c5cc(OC)ccc5-6)c4)cc(-c4ccc5c(c4)C(C)(C)c4cc(OC)ccc4-5)c3)ccc1-2.
What is the InChIKey of 2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene?
The InChIKey is GKXKJYRQXUVRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H66O4/c1-73(2)65-35-43(13-21-57(65)61-25-17-53(77-9)39-69(61)73)47-29-48(44-14-22-58-62-26-18-54(78-10)40-70(62)74(3,4)66(58)36-44)32-51(31-47)52-33-49(45-15-23-59-63-27-19-55(79-11)41-71(63)75(5,6)67(59)37-45)30-50(34-52)46-16-24-60-64-28-20-56(80-12)42-72(64)76(7,8)68(60)38-46/h13-42H,1-12H3.
What are the key properties of 2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene?
2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene has a molecular weight of 1043.36 g/mol, XLogP of 19.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene is sourced from PubChem (CID 59858743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).