9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole

C23H18N2 — CID 146445430

IUPAC9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole
SMILESCn1c2ccccc2c2c(Cc3cccc4ccccc34)cncc21
InChIInChI=1S/C23H18N2/c1-25-21-12-5-4-11-20(21)23-18(14-24-15-22(23)25)13-17-9-6-8-16-7-2-3-10-19(16)17/h2-12,14-15H,13H2,1H3
InChIKeyLXTSRRYUCZHYRZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.47
Rot. Bonds2

About 9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole

9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole (PubChem CID 146445430) has the molecular formula C23H18N2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole
PubChem CID146445430
Molecular FormulaC23H18N2
Molecular Weight322.41 g/mol
Exact Mass322.15
IUPAC Name9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole
SMILESCn1c2ccccc2c2c(Cc3cccc4ccccc34)cncc21
InChIInChI=1S/C23H18N2/c1-25-21-12-5-4-11-20(21)23-18(14-24-15-22(23)25)13-17-9-6-8-16-7-2-3-10-19(16)17/h2-12,14-15H,13H2,1H3
InChIKeyLXTSRRYUCZHYRZ-UHFFFAOYSA-N
XLogP5.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyrido[3,4-b]indole
CID 146445478
CID 66760372
CID 66760372
7-methylpyrido[3,4-c]carbazole
CID 170103434
5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole
CID 163788031
ethane;bis(9-methylcarbazole)
CID 159710949
9-(1,1,2,2,2-pentadeuterioethoxymethyl)-4-propylpyrido[3,4-b]indole
CID 10730987
1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene
CID 123365008
9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole
CID 129306339
9-methyl-4-(1-methylindol-2-yl)carbazole
CID 13159227
ethane;9-methylcarbazole;triphenylene
CID 142356751
2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine
CID 84758899
ethene;12-methyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145210762

Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole?
The IUPAC name of 9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole (CID 146445430) is 9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole.
What is the SMILES notation for 9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole?
The canonical SMILES for 9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole is Cn1c2ccccc2c2c(Cc3cccc4ccccc34)cncc21.
What is the InChIKey of 9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole?
The InChIKey is LXTSRRYUCZHYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2/c1-25-21-12-5-4-11-20(21)23-18(14-24-15-22(23)25)13-17-9-6-8-16-7-2-3-10-19(16)17/h2-12,14-15H,13H2,1H3.
What are the key properties of 9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole?
9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole has a molecular weight of 322.41 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole is sourced from PubChem (CID 146445430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).