2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene

C69H56 — CID 143207701

IUPAC2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cccc(C8CC=CC=C8c8ccccc8)c7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C69H56/c1-67(2)61-37-46(43-16-9-7-10-17-43)24-30-55(61)57-32-26-48(39-63(57)67)50-28-34-59-60-35-29-51(42-66(60)69(5,6)65(59)41-50)49-27-33-58-56-31-25-47(38-62(56)68(3,4)64(58)40-49)45-20-15-21-52(36-45)54-23-14-13-22-53(54)44-18-11-8-12-19-44/h7-22,24-42,54H,23H2,1-6H3
InChIKeyHTTOACUQXINOHU-UHFFFAOYSA-N
MW885.21 g/mol
LogP18.40
Rot. Bonds6

About 2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene

2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene (PubChem CID 143207701) has the molecular formula C69H56 and a molecular weight of 885.21 g/mol. Its IUPAC name is 2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene
PubChem CID143207701
Molecular FormulaC69H56
Molecular Weight885.21 g/mol
Exact Mass884.44
IUPAC Name2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cccc(C8CC=CC=C8c8ccccc8)c7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C69H56/c1-67(2)61-37-46(43-16-9-7-10-17-43)24-30-55(61)57-32-26-48(39-63(57)67)50-28-34-59-60-35-29-51(42-66(60)69(5,6)65(59)41-50)49-27-33-58-56-31-25-47(38-62(56)68(3,4)64(58)40-49)45-20-15-21-52(36-45)54-23-14-13-22-53(54)44-18-11-8-12-19-44/h7-22,24-42,54H,23H2,1-6H3
InChIKeyHTTOACUQXINOHU-UHFFFAOYSA-N
XLogP18.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.21
LogP ≤ 518.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene with MolForge

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Related Compounds

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
6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole
CID 145340628
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
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-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
9,9-dimethyl-N-[4-(9-phenyl-4b,5-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145370596
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
4-phenyl-6-(6-phenylcyclohexa-1,3-dien-1-yl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 155443087

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene?
The IUPAC name of 2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene (CID 143207701) is 2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene.
What is the SMILES notation for 2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene?
The canonical SMILES for 2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cccc(C8CC=CC=C8c8ccccc8)c7)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene?
The InChIKey is HTTOACUQXINOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H56/c1-67(2)61-37-46(43-16-9-7-10-17-43)24-30-55(61)57-32-26-48(39-63(57)67)50-28-34-59-60-35-29-51(42-66(60)69(5,6)65(59)41-50)49-27-33-58-56-31-25-47(38-62(56)68(3,4)64(58)40-49)45-20-15-21-52(36-45)54-23-14-13-22-53(54)44-18-11-8-12-19-44/h7-22,24-42,54H,23H2,1-6H3.
What are the key properties of 2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene?
2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene has a molecular weight of 885.21 g/mol, XLogP of 18.40, 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-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene is sourced from PubChem (CID 143207701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).