11-methyl-2-tetradecylnaphtho[2,1-a]carbazole

C35H43N — CID 90260138

IUPAC11-methyl-2-tetradecylnaphtho[2,1-a]carbazole
SMILESCCCCCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4n(C)c32)c1
InChIInChI=1S/C35H43N/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-27-20-22-29-28(26-27)21-23-32-30(29)24-25-33-31-18-15-16-19-34(31)36(2)35(32)33/h15-16,18-26H,3-14,17H2,1-2H3
InChIKeyBWQVWRFUXHJNLR-UHFFFAOYSA-N
MW477.74 g/mol
LogP10.88
Rot. Bonds13

About 11-methyl-2-tetradecylnaphtho[2,1-a]carbazole

11-methyl-2-tetradecylnaphtho[2,1-a]carbazole (PubChem CID 90260138) has the molecular formula C35H43N and a molecular weight of 477.74 g/mol. Its IUPAC name is 11-methyl-2-tetradecylnaphtho[2,1-a]carbazole.

Molecular Properties

Compound Name11-methyl-2-tetradecylnaphtho[2,1-a]carbazole
PubChem CID90260138
Molecular FormulaC35H43N
Molecular Weight477.74 g/mol
Exact Mass477.34
IUPAC Name11-methyl-2-tetradecylnaphtho[2,1-a]carbazole
SMILESCCCCCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4n(C)c32)c1
InChIInChI=1S/C35H43N/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-27-20-22-29-28(26-27)21-23-32-30(29)24-25-33-31-18-15-16-19-34(31)36(2)35(32)33/h15-16,18-26H,3-14,17H2,1-2H3
InChIKeyBWQVWRFUXHJNLR-UHFFFAOYSA-N
XLogP10.88
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.74
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 70938449
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CID 58411450
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Frequently Asked Questions

What is the IUPAC name of 11-methyl-2-tetradecylnaphtho[2,1-a]carbazole?
The IUPAC name of 11-methyl-2-tetradecylnaphtho[2,1-a]carbazole (CID 90260138) is 11-methyl-2-tetradecylnaphtho[2,1-a]carbazole.
What is the SMILES notation for 11-methyl-2-tetradecylnaphtho[2,1-a]carbazole?
The canonical SMILES for 11-methyl-2-tetradecylnaphtho[2,1-a]carbazole is CCCCCCCCCCCCCCc1ccc2c(ccc3c2ccc2c4ccccc4n(C)c32)c1.
What is the InChIKey of 11-methyl-2-tetradecylnaphtho[2,1-a]carbazole?
The InChIKey is BWQVWRFUXHJNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-27-20-22-29-28(26-27)21-23-32-30(29)24-25-33-31-18-15-16-19-34(31)36(2)35(32)33/h15-16,18-26H,3-14,17H2,1-2H3.
What are the key properties of 11-methyl-2-tetradecylnaphtho[2,1-a]carbazole?
11-methyl-2-tetradecylnaphtho[2,1-a]carbazole has a molecular weight of 477.74 g/mol, XLogP of 10.88, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-2-tetradecylnaphtho[2,1-a]carbazole is sourced from PubChem (CID 90260138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).