4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene

C27H24 — CID 123519909

IUPAC4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene
SMILESCc1cccc2c1-c1ccccc1C2(C1=CC=CC(C)C1)c1ccccc1
InChIInChI=1S/C27H24/c1-19-10-8-14-22(18-19)27(21-12-4-3-5-13-21)24-16-7-6-15-23(24)26-20(2)11-9-17-25(26)27/h3-17,19H,18H2,1-2H3
InChIKeyMPTIRTFYKVQLMC-UHFFFAOYSA-N
MW348.49 g/mol
LogP6.83
Rot. Bonds2

About 4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene

4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene (PubChem CID 123519909) has the molecular formula C27H24 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene.

Molecular Properties

Compound Name4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene
PubChem CID123519909
Molecular FormulaC27H24
Molecular Weight348.49 g/mol
Exact Mass348.19
IUPAC Name4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene
SMILESCc1cccc2c1-c1ccccc1C2(C1=CC=CC(C)C1)c1ccccc1
InChIInChI=1S/C27H24/c1-19-10-8-14-22(18-19)27(21-12-4-3-5-13-21)24-16-7-6-15-23(24)26-20(2)11-9-17-25(26)27/h3-17,19H,18H2,1-2H3
InChIKeyMPTIRTFYKVQLMC-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-methyl-9,9-diphenylfluorene
CID 123595050
4-methyl-9-(2-methylphenyl)-9-phenylfluorene
CID 145360950
6-(5-methylcyclohexa-1,3-dien-1-yl)-6,20,20-triphenylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene
CID 143932339
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
ethane;4-methyl-9,9-bis(4-methylphenyl)fluorene
CID 144938887
4-(7-methyl-7,8-dihydronaphthalen-2-yl)-9,9-diphenylfluorene
CID 144938961
4-bromo-4'-methyl-9,9'-spirobi[fluorene]
CID 123165749
9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole
CID 145302856
4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
CID 160627919
9-cyclohexa-1,3-dien-1-yl-2-methyl-9-phenyl-1,2-dihydrofluorene
CID 142567565
4-methyl-9-phenylfluoren-9-ol
CID 22117630

Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene?
The IUPAC name of 4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene (CID 123519909) is 4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene.
What is the SMILES notation for 4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene?
The canonical SMILES for 4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene is Cc1cccc2c1-c1ccccc1C2(C1=CC=CC(C)C1)c1ccccc1.
What is the InChIKey of 4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene?
The InChIKey is MPTIRTFYKVQLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24/c1-19-10-8-14-22(18-19)27(21-12-4-3-5-13-21)24-16-7-6-15-23(24)26-20(2)11-9-17-25(26)27/h3-17,19H,18H2,1-2H3.
What are the key properties of 4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene?
4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene has a molecular weight of 348.49 g/mol, XLogP of 6.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenylfluorene is sourced from PubChem (CID 123519909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).