2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene

C39H40 — CID 145007218

IUPAC2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene
SMILESCC1=CC=CCC(C2(C)c3ccccc3-c3cc(-c4cc5c(cc4C)C(C)(C)C4=C5C=CCC4)c(C)cc32)C1
InChIInChI=1S/C39H40/c1-24-13-7-8-14-27(19-24)39(6)35-18-12-10-16-29(35)33-23-31(26(3)21-37(33)39)30-22-32-28-15-9-11-17-34(28)38(4,5)36(32)20-25(30)2/h7-10,12-13,15-16,18,20-23,27H,11,14,17,19H2,1-6H3
InChIKeyPOXYOGRXNOMPNH-UHFFFAOYSA-N
MW508.75 g/mol
LogP10.56
Rot. Bonds2

About 2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene

2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene (PubChem CID 145007218) has the molecular formula C39H40 and a molecular weight of 508.75 g/mol. Its IUPAC name is 2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene.

Molecular Properties

Compound Name2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene
PubChem CID145007218
Molecular FormulaC39H40
Molecular Weight508.75 g/mol
Exact Mass508.31
IUPAC Name2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene
SMILESCC1=CC=CCC(C2(C)c3ccccc3-c3cc(-c4cc5c(cc4C)C(C)(C)C4=C5C=CCC4)c(C)cc32)C1
InChIInChI=1S/C39H40/c1-24-13-7-8-14-27(19-24)39(6)35-18-12-10-16-29(35)33-23-31(26(3)21-37(33)39)30-22-32-28-15-9-11-17-34(28)38(4,5)36(32)20-25(30)2/h7-10,12-13,15-16,18,20-23,27H,11,14,17,19H2,1-6H3
InChIKeyPOXYOGRXNOMPNH-UHFFFAOYSA-N
XLogP10.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.75
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole
CID 144556739
ethane;1-methyl-3-(4-methyl-4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)benzene;7,9,9-trimethyl-6-(2-methylphenyl)-1,2-dihydrofluorene;1,2-xylene
CID 145050038
7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole
CID 139418350
1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene
CID 178165621
2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine
CID 89152690
2-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine
CID 146359376
9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
CID 145212388
7,7-dimethyl-5-(4-methylphenyl)-8,9-dihydroindeno[2,1-b]carbazole
CID 170390566
3-(2-ethylphenyl)-2,9,9-trimethylfluorene
CID 148907412
2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
CID 142381891
3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]
CID 123378700
2-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-N,6-N,6-N-tris(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89189585

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene?
The IUPAC name of 2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene (CID 145007218) is 2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene.
What is the SMILES notation for 2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene?
The canonical SMILES for 2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene is CC1=CC=CCC(C2(C)c3ccccc3-c3cc(-c4cc5c(cc4C)C(C)(C)C4=C5C=CCC4)c(C)cc32)C1.
What is the InChIKey of 2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene?
The InChIKey is POXYOGRXNOMPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40/c1-24-13-7-8-14-27(19-24)39(6)35-18-12-10-16-29(35)33-23-31(26(3)21-37(33)39)30-22-32-28-15-9-11-17-34(28)38(4,5)36(32)20-25(30)2/h7-10,12-13,15-16,18,20-23,27H,11,14,17,19H2,1-6H3.
What are the key properties of 2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene?
2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene has a molecular weight of 508.75 g/mol, XLogP of 10.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-9-(3-methylcyclohepta-3,5-dien-1-yl)-3-(2,9,9-trimethyl-7,8-dihydrofluoren-3-yl)fluorene is sourced from PubChem (CID 145007218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).