9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene

C27H20 — CID 173160450

IUPAC9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene
SMILESCc1c2ccc3c1Cc1cc-2ccc1-3.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C14H10.C13H10/c1-8-11-4-5-13-12-3-2-9(11)6-10(12)7-14(8)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h2-6H,7H2,1H3;1-8H,9H2
InChIKeyOXMZYQKCKITZII-UHFFFAOYSA-N
MW344.46 g/mol
LogP6.80
Rot. Bonds

About 9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene

9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene (PubChem CID 173160450) has the molecular formula C27H20 and a molecular weight of 344.46 g/mol. Its IUPAC name is 9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene.

Molecular Properties

Compound Name9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene
PubChem CID173160450
Molecular FormulaC27H20
Molecular Weight344.46 g/mol
Exact Mass344.16
IUPAC Name9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene
SMILESCc1c2ccc3c1Cc1cc-2ccc1-3.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C14H10.C13H10/c1-8-11-4-5-13-12-3-2-9(11)6-10(12)7-14(8)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h2-6H,7H2,1H3;1-8H,9H2
InChIKeyOXMZYQKCKITZII-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene
CID 159443497
bis(1,2-dimethyl-9H-fluorene);bis(2,3-dimethyl-9H-fluorene);3,4-dimethyl-9H-fluorene
CID 163707739
10-methyl-7,12-dihydroindeno[1,2-a]fluorene
CID 161385302
1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium
CID 162171780
1,2-dimethyl-9H-fluoren-3-ol
CID 162039436
1-[3-(3-methylphenyl)phenyl]-9H-fluorene
CID 159755340
ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 91469252
bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane
CID 160769436
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264

Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene?
The IUPAC name of 9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene (CID 173160450) is 9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene.
What is the SMILES notation for 9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene?
The canonical SMILES for 9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene is Cc1c2ccc3c1Cc1cc-2ccc1-3.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene?
The InChIKey is OXMZYQKCKITZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C13H10/c1-8-11-4-5-13-12-3-2-9(11)6-10(12)7-14(8)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h2-6H,7H2,1H3;1-8H,9H2.
What are the key properties of 9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene?
9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene has a molecular weight of 344.46 g/mol, XLogP of 6.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene is sourced from PubChem (CID 173160450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).