3-(8,9-dimethyl-9H-fluoren-3-yl)-3a,10c-dihydrofluoranthene

C31H24 — CID 145301539

IUPAC3-(8,9-dimethyl-9H-fluoren-3-yl)-3a,10c-dihydrofluoranthene
SMILESCc1cccc2c1C(C)c1ccc(C3=CC=C4c5ccccc5C5=CC=CC3C54)cc1-2
InChIInChI=1S/C31H24/c1-18-7-5-10-27-29-17-20(13-14-21(29)19(2)30(18)27)22-15-16-28-24-9-4-3-8-23(24)26-12-6-11-25(22)31(26)28/h3-17,19,25,31H,1-2H3
InChIKeyJPYRRUOCROXKRS-UHFFFAOYSA-N
MW396.53 g/mol
LogP7.81
Rot. Bonds1

About 3-(8,9-dimethyl-9H-fluoren-3-yl)-3a,10c-dihydrofluoranthene

3-(8,9-dimethyl-9H-fluoren-3-yl)-3a,10c-dihydrofluoranthene (PubChem CID 145301539) has the molecular formula C31H24 and a molecular weight of 396.53 g/mol. Its IUPAC name is 3-(8,9-dimethyl-9H-fluoren-3-yl)-3a,10c-dihydrofluoranthene.

Molecular Properties

Compound Name3-(8,9-dimethyl-9H-fluoren-3-yl)-3a,10c-dihydrofluoranthene
PubChem CID145301539
Molecular FormulaC31H24
Molecular Weight396.53 g/mol
Exact Mass396.19
IUPAC Name3-(8,9-dimethyl-9H-fluoren-3-yl)-3a,10c-dihydrofluoranthene
SMILESCc1cccc2c1C(C)c1ccc(C3=CC=C4c5ccccc5C5=CC=CC3C54)cc1-2
InChIInChI=1S/C31H24/c1-18-7-5-10-27-29-17-20(13-14-21(29)19(2)30(18)27)22-15-16-28-24-9-4-3-8-23(24)26-12-6-11-25(22)31(26)28/h3-17,19,25,31H,1-2H3
InChIKeyJPYRRUOCROXKRS-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,9-dimethyl-9H-fluorene
CID 28227
6,9-dimethyl-1-phenyl-9H-fluorene
CID 162012318
18-(2,6-dimethylphenyl)-5-[2-(2-phenylphenyl)-2-[9-[1-(2-phenylphenyl)ethenyl]-3a,10c-dihydrofluoranthen-8-yl]ethenyl]heptacyclo[12.9.2.12,6.011,24.015,20.021,25.010,26]hexacosa-1(23),2,4,7,9,11(24),12,14(25),15(20),16,18,21-dodecaene
CID 123784585
12-(3a,10c-dihydrofluoranthen-3-yl)-9-cyclobutyl-7,7-dimethyl-10-(2-methylphenyl)indeno[1,2-a]carbazole
CID 145018303
1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene
CID 13306900
(6aR,11cR)-3-bromo-6a,11c-dihydrobenzo[a]phenalen-7-one
CID 8022545
9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene
CID 160808961
5-methyl-3aH-cyclopenta[a]naphthalene
CID 20785931
9-ethyl-1-methyl-9H-fluorene
CID 15584367
1-methyl-2-(2-methylphenyl)-1H-indene
CID 140997796
5,23-bis(2-methylphenyl)decacyclo[25.7.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.031,35]hexatriaconta-1(34),2(26),3,5,7(36),8(21),9(18),10(15),11,13,16,19,22,24,27,29,32-heptadecaene
CID 123521813
8-benzyl-5-phenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(27),2,4,6,8,10,12,14,17(26),18,20,22,24-tridecaene
CID 91215995

Frequently Asked Questions

What is the IUPAC name of 3-(8,9-dimethyl-9H-fluoren-3-yl)-3a,10c-dihydrofluoranthene?
The IUPAC name of 3-(8,9-dimethyl-9H-fluoren-3-yl)-3a,10c-dihydrofluoranthene (CID 145301539) is 3-(8,9-dimethyl-9H-fluoren-3-yl)-3a,10c-dihydrofluoranthene.
What is the SMILES notation for 3-(8,9-dimethyl-9H-fluoren-3-yl)-3a,10c-dihydrofluoranthene?
The canonical SMILES for 3-(8,9-dimethyl-9H-fluoren-3-yl)-3a,10c-dihydrofluoranthene is Cc1cccc2c1C(C)c1ccc(C3=CC=C4c5ccccc5C5=CC=CC3C54)cc1-2.
What is the InChIKey of 3-(8,9-dimethyl-9H-fluoren-3-yl)-3a,10c-dihydrofluoranthene?
The InChIKey is JPYRRUOCROXKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24/c1-18-7-5-10-27-29-17-20(13-14-21(29)19(2)30(18)27)22-15-16-28-24-9-4-3-8-23(24)26-12-6-11-25(22)31(26)28/h3-17,19,25,31H,1-2H3.
What are the key properties of 3-(8,9-dimethyl-9H-fluoren-3-yl)-3a,10c-dihydrofluoranthene?
3-(8,9-dimethyl-9H-fluoren-3-yl)-3a,10c-dihydrofluoranthene has a molecular weight of 396.53 g/mol, XLogP of 7.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8,9-dimethyl-9H-fluoren-3-yl)-3a,10c-dihydrofluoranthene is sourced from PubChem (CID 145301539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).