4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene

C47H42 — CID 123460123

IUPAC4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene
SMILESCc1cc2c(c(C3(C)c4ccccc4-c4c3ccc(C)c4CC3(C)c4ccccc4-c4c(C)cccc43)c1)-c1ccccc1C2(C)C
InChIInChI=1S/C47H42/c1-28-25-40-44(31-16-8-11-19-35(31)45(40,4)5)41(26-28)47(7)37-21-13-10-18-33(37)43-34(29(2)23-24-39(43)47)27-46(6)36-20-12-9-17-32(36)42-30(3)15-14-22-38(42)46/h8-26H,27H2,1-7H3
InChIKeyROZXRZZGCRNBKD-UHFFFAOYSA-N
MW606.85 g/mol
LogP11.78
Rot. Bonds3

About 4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene

4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene (PubChem CID 123460123) has the molecular formula C47H42 and a molecular weight of 606.85 g/mol. Its IUPAC name is 4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene.

Molecular Properties

Compound Name4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene
PubChem CID123460123
Molecular FormulaC47H42
Molecular Weight606.85 g/mol
Exact Mass606.33
IUPAC Name4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene
SMILESCc1cc2c(c(C3(C)c4ccccc4-c4c3ccc(C)c4CC3(C)c4ccccc4-c4c(C)cccc43)c1)-c1ccccc1C2(C)C
InChIInChI=1S/C47H42/c1-28-25-40-44(31-16-8-11-19-35(31)45(40,4)5)41(26-28)47(7)37-21-13-10-18-33(37)43-34(29(2)23-24-39(43)47)27-46(6)36-20-12-9-17-32(36)42-30(3)15-14-22-38(42)46/h8-26H,27H2,1-7H3
InChIKeyROZXRZZGCRNBKD-UHFFFAOYSA-N
XLogP11.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.85
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene with MolForge

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Related Compounds

4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene
CID 144938552
4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene
CID 123787852
ethane;4,9,9-trimethylfluorene
CID 123917181
9-ethyl-4,9-dimethylfluorene
CID 145360802
3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene
CID 123569803
4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
3,9,9-trimethyl-4-naphthalen-1-ylfluorene
CID 156896796
toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)
CID 160789505
9,9-dimethyl-5-[9-methyl-4-[[9-methyl-3-(7-methylnaphthalen-2-yl)fluoren-9-yl]methyl]-2-(7-methylnaphthalen-2-yl)fluoren-9-yl]-1-(7-methylnaphthalen-2-yl)fluorene
CID 123751329
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 159829393
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
2,6,6,10,12,12-hexamethylindeno[1,2-b]fluorene
CID 142540848

Frequently Asked Questions

What is the IUPAC name of 4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene?
The IUPAC name of 4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene (CID 123460123) is 4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene.
What is the SMILES notation for 4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene?
The canonical SMILES for 4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene is Cc1cc2c(c(C3(C)c4ccccc4-c4c3ccc(C)c4CC3(C)c4ccccc4-c4c(C)cccc43)c1)-c1ccccc1C2(C)C.
What is the InChIKey of 4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene?
The InChIKey is ROZXRZZGCRNBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H42/c1-28-25-40-44(31-16-8-11-19-35(31)45(40,4)5)41(26-28)47(7)37-21-13-10-18-33(37)43-34(29(2)23-24-39(43)47)27-46(6)36-20-12-9-17-32(36)42-30(3)15-14-22-38(42)46/h8-26H,27H2,1-7H3.
What are the key properties of 4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene?
4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene has a molecular weight of 606.85 g/mol, XLogP of 11.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene is sourced from PubChem (CID 123460123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).