9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene

C34H28 — CID 142294556

IUPAC9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene
SMILESCc1ccc(-c2ccc(-c3c(-c4ccccc4)ccc4c3-c3ccccc3C4(C)C)cc2)cc1
InChIInChI=1S/C34H28/c1-23-13-15-24(16-14-23)25-17-19-27(20-18-25)32-28(26-9-5-4-6-10-26)21-22-31-33(32)29-11-7-8-12-30(29)34(31,2)3/h4-22H,1-3H3
InChIKeyVFQGLJXHPOYCLQ-UHFFFAOYSA-N
MW436.60 g/mol
LogP9.30
Rot. Bonds3

About 9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene

9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene (PubChem CID 142294556) has the molecular formula C34H28 and a molecular weight of 436.60 g/mol. Its IUPAC name is 9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene.

Molecular Properties

Compound Name9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene
PubChem CID142294556
Molecular FormulaC34H28
Molecular Weight436.60 g/mol
Exact Mass436.22
IUPAC Name9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene
SMILESCc1ccc(-c2ccc(-c3c(-c4ccccc4)ccc4c3-c3ccccc3C4(C)C)cc2)cc1
InChIInChI=1S/C34H28/c1-23-13-15-24(16-14-23)25-17-19-27(20-18-25)32-28(26-9-5-4-6-10-26)21-22-31-33(32)29-11-7-8-12-30(29)34(31,2)3/h4-22H,1-3H3
InChIKeyVFQGLJXHPOYCLQ-UHFFFAOYSA-N
XLogP9.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile
CID 155765144
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-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 158811180
2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765149
8-[4-[9,9-dimethyl-3-(4-quinolin-8-ylphenyl)fluoren-4-yl]phenyl]quinoline
CID 155765153
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
CID 59196543
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline
CID 154957513
1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene
CID 156827027
2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765168
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993
9,9-dimethyl-4-(3-methylphenyl)fluorene
CID 59182848

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene?
The IUPAC name of 9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene (CID 142294556) is 9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene.
What is the SMILES notation for 9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene?
The canonical SMILES for 9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene is Cc1ccc(-c2ccc(-c3c(-c4ccccc4)ccc4c3-c3ccccc3C4(C)C)cc2)cc1.
What is the InChIKey of 9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene?
The InChIKey is VFQGLJXHPOYCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28/c1-23-13-15-24(16-14-23)25-17-19-27(20-18-25)32-28(26-9-5-4-6-10-26)21-22-31-33(32)29-11-7-8-12-30(29)34(31,2)3/h4-22H,1-3H3.
What are the key properties of 9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene?
9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene has a molecular weight of 436.60 g/mol, XLogP of 9.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]-3-phenylfluorene is sourced from PubChem (CID 142294556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).