4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene

C46H40 — CID 144938552

IUPAC4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene
SMILESCc1cc(C2c3ccccc3-c3c2ccc(C)c3CC2(C)c3ccccc3-c3c(C)cccc32)c2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C46H40/c1-27-24-35(44-32-17-9-11-19-37(32)45(4,5)40(44)25-27)42-30-15-7-8-16-31(30)43-34(42)23-22-28(2)36(43)26-46(6)38-20-12-10-18-33(38)41-29(3)14-13-21-39(41)46/h7-25,42H,26H2,1-6H3
InChIKeyQDVPESRYYLUEKK-UHFFFAOYSA-N
MW592.83 g/mol
LogP11.61
Rot. Bonds3

About 4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene

4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene (PubChem CID 144938552) has the molecular formula C46H40 and a molecular weight of 592.83 g/mol. Its IUPAC name is 4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene.

Molecular Properties

Compound Name4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene
PubChem CID144938552
Molecular FormulaC46H40
Molecular Weight592.83 g/mol
Exact Mass592.31
IUPAC Name4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene
SMILESCc1cc(C2c3ccccc3-c3c2ccc(C)c3CC2(C)c3ccccc3-c3c(C)cccc32)c2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C46H40/c1-27-24-35(44-32-17-9-11-19-37(32)45(4,5)40(44)25-27)42-30-15-7-8-16-31(30)43-34(42)23-22-28(2)36(43)26-46(6)38-20-12-10-18-33(38)41-29(3)14-13-21-39(41)46/h7-25,42H,26H2,1-6H3
InChIKeyQDVPESRYYLUEKK-UHFFFAOYSA-N
XLogP11.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.83
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene with MolForge

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Related Compounds

4-[(4,9-dimethylfluoren-9-yl)methyl]-3,9-dimethyl-9-(2,9,9-trimethylfluoren-4-yl)fluorene
CID 123460123
ethane;4,9,9-trimethylfluorene
CID 123917181
9-ethyl-4,9-dimethylfluorene
CID 145360802
4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene
CID 123787852
4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene
CID 123569803
9-[2-(9H-fluoren-9-yl)-4-methylphenyl]-9H-fluorene
CID 174712275
5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142604920
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)
CID 160789505
3,9,9-trimethyl-4-naphthalen-1-ylfluorene
CID 156896796
9-(2,5-dimethylphenyl)-9H-fluorene
CID 10730779

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene?
The IUPAC name of 4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene (CID 144938552) is 4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene.
What is the SMILES notation for 4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene?
The canonical SMILES for 4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene is Cc1cc(C2c3ccccc3-c3c2ccc(C)c3CC2(C)c3ccccc3-c3c(C)cccc32)c2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene?
The InChIKey is QDVPESRYYLUEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40/c1-27-24-35(44-32-17-9-11-19-37(32)45(4,5)40(44)25-27)42-30-15-7-8-16-31(30)43-34(42)23-22-28(2)36(43)26-46(6)38-20-12-10-18-33(38)41-29(3)14-13-21-39(41)46/h7-25,42H,26H2,1-6H3.
What are the key properties of 4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene?
4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene has a molecular weight of 592.83 g/mol, XLogP of 11.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4,9-dimethylfluoren-9-yl)methyl]-3-methyl-9H-fluoren-9-yl]-2,9,9-trimethylfluorene is sourced from PubChem (CID 144938552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).