9,9-dimethyl-4-[9-methyl-2-(4-methylnaphthalen-1-yl)-7-phenylfluoren-9-yl]-1-(4-methylnaphthalen-1-yl)fluorene

C57H44 — CID 123888058

IUPAC9,9-dimethyl-4-[9-methyl-2-(4-methylnaphthalen-1-yl)-7-phenylfluoren-9-yl]-1-(4-methylnaphthalen-1-yl)fluorene
SMILESCc1ccc(-c2ccc3c(c2)C(C)(c2ccc(-c4ccc(C)c5ccccc45)c4c2-c2ccccc2C4(C)C)c2cc(-c4ccccc4)ccc2-3)c2ccccc12
InChIInChI=1S/C57H44/c1-35-23-27-42(43-19-11-9-17-40(35)43)39-26-30-47-46-29-25-38(37-15-7-6-8-16-37)33-52(46)57(5,53(47)34-39)51-32-31-48(45-28-24-36(2)41-18-10-12-20-44(41)45)55-54(51)49-21-13-14-22-50(49)56(55,3)4/h6-34H,1-5H3
InChIKeyMXRVMXYEWKJCRV-UHFFFAOYSA-N
MW728.98 g/mol
LogP15.25
Rot. Bonds4

About 9,9-dimethyl-4-[9-methyl-2-(4-methylnaphthalen-1-yl)-7-phenylfluoren-9-yl]-1-(4-methylnaphthalen-1-yl)fluorene

9,9-dimethyl-4-[9-methyl-2-(4-methylnaphthalen-1-yl)-7-phenylfluoren-9-yl]-1-(4-methylnaphthalen-1-yl)fluorene (PubChem CID 123888058) has the molecular formula C57H44 and a molecular weight of 728.98 g/mol. Its IUPAC name is 9,9-dimethyl-4-[9-methyl-2-(4-methylnaphthalen-1-yl)-7-phenylfluoren-9-yl]-1-(4-methylnaphthalen-1-yl)fluorene.

Molecular Properties

Compound Name9,9-dimethyl-4-[9-methyl-2-(4-methylnaphthalen-1-yl)-7-phenylfluoren-9-yl]-1-(4-methylnaphthalen-1-yl)fluorene
PubChem CID123888058
Molecular FormulaC57H44
Molecular Weight728.98 g/mol
Exact Mass728.34
IUPAC Name9,9-dimethyl-4-[9-methyl-2-(4-methylnaphthalen-1-yl)-7-phenylfluoren-9-yl]-1-(4-methylnaphthalen-1-yl)fluorene
SMILESCc1ccc(-c2ccc3c(c2)C(C)(c2ccc(-c4ccc(C)c5ccccc45)c4c2-c2ccccc2C4(C)C)c2cc(-c4ccccc4)ccc2-3)c2ccccc12
InChIInChI=1S/C57H44/c1-35-23-27-42(43-19-11-9-17-40(35)43)39-26-30-47-46-29-25-38(37-15-7-6-8-16-37)33-52(46)57(5,53(47)34-39)51-32-31-48(45-28-24-36(2)41-18-10-12-20-44(41)45)55-54(51)49-21-13-14-22-50(49)56(55,3)4/h6-34H,1-5H3
InChIKeyMXRVMXYEWKJCRV-UHFFFAOYSA-N
XLogP15.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.98
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
7,7,12,12-tetramethyl-10-[6-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-10-yl)pyren-1-yl]indeno[1,2-c]fluorene
CID 156675148
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene
CID 159679931
9,9-dimethyl-2-(3-methylphenyl)fluorene;9,9-dimethyl-2-(4-methylphenyl)fluorene;1,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene;1,9,9-trimethyl-7-phenylfluorene;6,9,9-trimethyl-2-phenylfluorene
CID 159835700
7,7,12,12-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[1,2-c]fluorene;7,7,12,12-tetramethyl-9-naphthalen-2-yl-2-(6-naphthalen-2-ylnaphthalen-2-yl)indeno[1,2-c]fluorene;9,9,14,14-tetramethyl-6-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 162101596
2-(9,9-dimethylfluoren-4-yl)-5,9,9-trimethylfluorene;9,9-dimethyl-1-(2-methyl-5-phenylphenyl)fluorene;1-(2-methylphenyl)-4-phenylnaphthalene;3-(2-methylphenyl)-1-phenylnaphthalene;5,9,9-trimethyl-2-naphthalen-1-ylfluorene;5,9,9-trimethyl-2-naphthalen-2-ylfluorene
CID 158589674
3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 58250850
9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene
CID 162723202
16,16-dimethyl-5-(4-phenylnaphthalen-1-yl)hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene
CID 123876471

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-4-[9-methyl-2-(4-methylnaphthalen-1-yl)-7-phenylfluoren-9-yl]-1-(4-methylnaphthalen-1-yl)fluorene?
The IUPAC name of 9,9-dimethyl-4-[9-methyl-2-(4-methylnaphthalen-1-yl)-7-phenylfluoren-9-yl]-1-(4-methylnaphthalen-1-yl)fluorene (CID 123888058) is 9,9-dimethyl-4-[9-methyl-2-(4-methylnaphthalen-1-yl)-7-phenylfluoren-9-yl]-1-(4-methylnaphthalen-1-yl)fluorene.
What is the SMILES notation for 9,9-dimethyl-4-[9-methyl-2-(4-methylnaphthalen-1-yl)-7-phenylfluoren-9-yl]-1-(4-methylnaphthalen-1-yl)fluorene?
The canonical SMILES for 9,9-dimethyl-4-[9-methyl-2-(4-methylnaphthalen-1-yl)-7-phenylfluoren-9-yl]-1-(4-methylnaphthalen-1-yl)fluorene is Cc1ccc(-c2ccc3c(c2)C(C)(c2ccc(-c4ccc(C)c5ccccc45)c4c2-c2ccccc2C4(C)C)c2cc(-c4ccccc4)ccc2-3)c2ccccc12.
What is the InChIKey of 9,9-dimethyl-4-[9-methyl-2-(4-methylnaphthalen-1-yl)-7-phenylfluoren-9-yl]-1-(4-methylnaphthalen-1-yl)fluorene?
The InChIKey is MXRVMXYEWKJCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H44/c1-35-23-27-42(43-19-11-9-17-40(35)43)39-26-30-47-46-29-25-38(37-15-7-6-8-16-37)33-52(46)57(5,53(47)34-39)51-32-31-48(45-28-24-36(2)41-18-10-12-20-44(41)45)55-54(51)49-21-13-14-22-50(49)56(55,3)4/h6-34H,1-5H3.
What are the key properties of 9,9-dimethyl-4-[9-methyl-2-(4-methylnaphthalen-1-yl)-7-phenylfluoren-9-yl]-1-(4-methylnaphthalen-1-yl)fluorene?
9,9-dimethyl-4-[9-methyl-2-(4-methylnaphthalen-1-yl)-7-phenylfluoren-9-yl]-1-(4-methylnaphthalen-1-yl)fluorene has a molecular weight of 728.98 g/mol, XLogP of 15.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-4-[9-methyl-2-(4-methylnaphthalen-1-yl)-7-phenylfluoren-9-yl]-1-(4-methylnaphthalen-1-yl)fluorene is sourced from PubChem (CID 123888058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).