2,2-dimethyl-1-naphthalen-2-yl-3,4-dihydro-1H-benzo[f]isoquinoline

C25H23N — CID 12640140

IUPAC2,2-dimethyl-1-naphthalen-2-yl-3,4-dihydro-1H-benzo[f]isoquinoline
SMILESCC1(C)NCc2ccc3ccccc3c2C1c1ccc2ccccc2c1
InChIInChI=1S/C25H23N/c1-25(2)24(20-13-11-17-7-3-4-9-19(17)15-20)23-21(16-26-25)14-12-18-8-5-6-10-22(18)23/h3-15,24,26H,16H2,1-2H3
InChIKeyKVOVZYIGEDSLIE-UHFFFAOYSA-N
MW337.47 g/mol
LogP6.01
Rot. Bonds1

About 2,2-dimethyl-1-naphthalen-2-yl-3,4-dihydro-1H-benzo[f]isoquinoline

2,2-dimethyl-1-naphthalen-2-yl-3,4-dihydro-1H-benzo[f]isoquinoline (PubChem CID 12640140) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is 2,2-dimethyl-1-naphthalen-2-yl-3,4-dihydro-1H-benzo[f]isoquinoline.

Molecular Properties

Compound Name2,2-dimethyl-1-naphthalen-2-yl-3,4-dihydro-1H-benzo[f]isoquinoline
PubChem CID12640140
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Name2,2-dimethyl-1-naphthalen-2-yl-3,4-dihydro-1H-benzo[f]isoquinoline
SMILESCC1(C)NCc2ccc3ccccc3c2C1c1ccc2ccccc2c1
InChIInChI=1S/C25H23N/c1-25(2)24(20-13-11-17-7-3-4-9-19(17)15-20)23-21(16-26-25)14-12-18-8-5-6-10-22(18)23/h3-15,24,26H,16H2,1-2H3
InChIKeyKVOVZYIGEDSLIE-UHFFFAOYSA-N
XLogP6.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene
CID 132563382
1,2,2-trimethyl-1,3-dihydrobenzo[e]indole
CID 66825779
1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline
CID 64687617
anthracene;naphthalene;phenanthrene
CID 158591187
3-naphthalen-2-ylazetidine
CID 116962282
(2S,3S)-2,3-dinaphthalen-2-ylpiperazine
CID 11175156
1-naphthalen-2-yl-1,3-dihydro-2-benzofuran
CID 42600516
14-thiatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8-pentaene
CID 10632343
4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2879509
3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine
CID 73001495
7,14-dihydrobenzo[a]tetracen-14-ol
CID 177323910
N-methyl-4-naphthalen-2-ylcyclohexan-1-amine
CID 116962734

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-naphthalen-2-yl-3,4-dihydro-1H-benzo[f]isoquinoline?
The IUPAC name of 2,2-dimethyl-1-naphthalen-2-yl-3,4-dihydro-1H-benzo[f]isoquinoline (CID 12640140) is 2,2-dimethyl-1-naphthalen-2-yl-3,4-dihydro-1H-benzo[f]isoquinoline.
What is the SMILES notation for 2,2-dimethyl-1-naphthalen-2-yl-3,4-dihydro-1H-benzo[f]isoquinoline?
The canonical SMILES for 2,2-dimethyl-1-naphthalen-2-yl-3,4-dihydro-1H-benzo[f]isoquinoline is CC1(C)NCc2ccc3ccccc3c2C1c1ccc2ccccc2c1.
What is the InChIKey of 2,2-dimethyl-1-naphthalen-2-yl-3,4-dihydro-1H-benzo[f]isoquinoline?
The InChIKey is KVOVZYIGEDSLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N/c1-25(2)24(20-13-11-17-7-3-4-9-19(17)15-20)23-21(16-26-25)14-12-18-8-5-6-10-22(18)23/h3-15,24,26H,16H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-naphthalen-2-yl-3,4-dihydro-1H-benzo[f]isoquinoline?
2,2-dimethyl-1-naphthalen-2-yl-3,4-dihydro-1H-benzo[f]isoquinoline has a molecular weight of 337.47 g/mol, XLogP of 6.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-naphthalen-2-yl-3,4-dihydro-1H-benzo[f]isoquinoline is sourced from PubChem (CID 12640140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).