3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene

C38H34 — CID 123569803

IUPAC3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene
SMILESCc1ccc2c(c1)-c1cc(-c3ccccc3)ccc1C2(C)Cc1cc(C)cc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C38H34/c1-24-15-17-33-30(20-24)31-22-27(26-11-7-6-8-12-26)16-18-34(31)38(33,5)23-28-19-25(2)21-35-36(28)29-13-9-10-14-32(29)37(35,3)4/h6-22H,23H2,1-5H3
InChIKeyNDPUKTHYRJBLLH-UHFFFAOYSA-N
MW490.69 g/mol
LogP9.81
Rot. Bonds3

About 3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene

3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene (PubChem CID 123569803) has the molecular formula C38H34 and a molecular weight of 490.69 g/mol. Its IUPAC name is 3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene.

Molecular Properties

Compound Name3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene
PubChem CID123569803
Molecular FormulaC38H34
Molecular Weight490.69 g/mol
Exact Mass490.27
IUPAC Name3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene
SMILESCc1ccc2c(c1)-c1cc(-c3ccccc3)ccc1C2(C)Cc1cc(C)cc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C38H34/c1-24-15-17-33-30(20-24)31-22-27(26-11-7-6-8-12-26)16-18-34(31)38(33,5)23-28-19-25(2)21-35-36(28)29-13-9-10-14-32(29)37(35,3)4/h6-22H,23H2,1-5H3
InChIKeyNDPUKTHYRJBLLH-UHFFFAOYSA-N
XLogP9.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[(3,9-dimethylfluoren-9-yl)methyl]-2,9,9-trimethylfluorene
CID 123787852
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene
CID 156827027
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
9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene
CID 142294556
4'-[(3,9-dimethylfluoren-9-yl)methyl]-2'-iodospiro[cyclopentane-1,9'-fluorene]
CID 144939042
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
1,9,9-trimethyl-4-phenylfluorene;1,9,9-trimethyl-7-phenylfluorene;2,9,9-trimethyl-7-phenylfluorene;4,9,9-trimethyl-2-phenylfluorene;5,9,9-trimethyl-2-phenylfluorene;6,9,9-trimethyl-2-phenylfluorene
CID 158427752
2-(6,9,9-trimethylfluoren-3-yl)phenol
CID 59317538
9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene
CID 142541100
9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 164755351
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061

Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene?
The IUPAC name of 3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene (CID 123569803) is 3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene.
What is the SMILES notation for 3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene?
The canonical SMILES for 3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene is Cc1ccc2c(c1)-c1cc(-c3ccccc3)ccc1C2(C)Cc1cc(C)cc2c1-c1ccccc1C2(C)C.
What is the InChIKey of 3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene?
The InChIKey is NDPUKTHYRJBLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34/c1-24-15-17-33-30(20-24)31-22-27(26-11-7-6-8-12-26)16-18-34(31)38(33,5)23-28-19-25(2)21-35-36(28)29-13-9-10-14-32(29)37(35,3)4/h6-22H,23H2,1-5H3.
What are the key properties of 3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene?
3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene has a molecular weight of 490.69 g/mol, XLogP of 9.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-6-phenyl-9-[(2,9,9-trimethylfluoren-4-yl)methyl]fluorene is sourced from PubChem (CID 123569803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).