3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene

C24H22 — CID 21042275

IUPAC3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
SMILESCc1ccc2c(c1)CCc1cc3c(cc1-2)CCc1cc(C)ccc1-3
InChIInChI=1S/C24H22/c1-15-3-9-21-17(11-15)5-7-19-14-24-20(13-23(19)21)8-6-18-12-16(2)4-10-22(18)24/h3-4,9-14H,5-8H2,1-2H3
InChIKeyFMKLECMTCGNNIG-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.83
Rot. Bonds

About 3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene

3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene (PubChem CID 21042275) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene.

Molecular Properties

Compound Name3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
PubChem CID21042275
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
SMILESCc1ccc2c(c1)CCc1cc3c(cc1-2)CCc1cc(C)ccc1-3
InChIInChI=1S/C24H22/c1-15-3-9-21-17(11-15)5-7-19-14-24-20(13-23(19)21)8-6-18-12-16(2)4-10-22(18)24/h3-4,9-14H,5-8H2,1-2H3
InChIKeyFMKLECMTCGNNIG-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 157144570
5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 23561339
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CID 58380222
18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene
CID 143650268
2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene
CID 18377956
ethane;2-methyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
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CID 90783732
bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
3,7-dimethyl-4-methylsulfanyl-1,2-dihydronaphthalene
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Frequently Asked Questions

What is the IUPAC name of 3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene?
The IUPAC name of 3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene (CID 21042275) is 3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene.
What is the SMILES notation for 3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene?
The canonical SMILES for 3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene is Cc1ccc2c(c1)CCc1cc3c(cc1-2)CCc1cc(C)ccc1-3.
What is the InChIKey of 3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene?
The InChIKey is FMKLECMTCGNNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22/c1-15-3-9-21-17(11-15)5-7-19-14-24-20(13-23(19)21)8-6-18-12-16(2)4-10-22(18)24/h3-4,9-14H,5-8H2,1-2H3.
What are the key properties of 3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene?
3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene has a molecular weight of 310.44 g/mol, XLogP of 5.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene is sourced from PubChem (CID 21042275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).