2-methylnaphthalene;3-methyl-9-octylcarbazole

C32H37N — CID 167681483

IUPAC2-methylnaphthalene;3-methyl-9-octylcarbazole
SMILESCCCCCCCCn1c2ccccc2c2cc(C)ccc21.Cc1ccc2ccccc2c1
InChIInChI=1S/C21H27N.C11H10/c1-3-4-5-6-7-10-15-22-20-12-9-8-11-18(20)19-16-17(2)13-14-21(19)22;1-9-6-7-10-4-2-3-5-11(10)8-9/h8-9,11-14,16H,3-7,10,15H2,1-2H3;2-8H,1H3
InChIKeyVPJXDESIXSOTQK-UHFFFAOYSA-N
MW435.66 g/mol
LogP9.61
Rot. Bonds7

About 2-methylnaphthalene;3-methyl-9-octylcarbazole

2-methylnaphthalene;3-methyl-9-octylcarbazole (PubChem CID 167681483) has the molecular formula C32H37N and a molecular weight of 435.66 g/mol. Its IUPAC name is 2-methylnaphthalene;3-methyl-9-octylcarbazole.

Molecular Properties

Compound Name2-methylnaphthalene;3-methyl-9-octylcarbazole
PubChem CID167681483
Molecular FormulaC32H37N
Molecular Weight435.66 g/mol
Exact Mass435.29
IUPAC Name2-methylnaphthalene;3-methyl-9-octylcarbazole
SMILESCCCCCCCCn1c2ccccc2c2cc(C)ccc21.Cc1ccc2ccccc2c1
InChIInChI=1S/C21H27N.C11H10/c1-3-4-5-6-7-10-15-22-20-12-9-8-11-18(20)19-16-17(2)13-14-21(19)22;1-9-6-7-10-4-2-3-5-11(10)8-9/h8-9,11-14,16H,3-7,10,15H2,1-2H3;2-8H,1H3
InChIKeyVPJXDESIXSOTQK-UHFFFAOYSA-N
XLogP9.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.66
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene
CID 51040792
benzene;9-octylcarbazole
CID 175067369
22-hexyl-22-azahexacyclo[12.11.0.03,12.05,10.015,23.016,21]pentacosa-1,3,5,7,9,11,13,15(23),16,18,20,24-dodecaene
CID 135031023
9-hexyl-3-N,6-N-dinaphthalen-2-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 142740904
2-methyl-1-tetradecylindole
CID 19869962
(9-dodecylcarbazol-3-yl)methanol
CID 151995019
5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole
CID 67991343
9-octyl-3-[5-[5-[5-(9-octylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole
CID 134391330
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282

Frequently Asked Questions

What is the IUPAC name of 2-methylnaphthalene;3-methyl-9-octylcarbazole?
The IUPAC name of 2-methylnaphthalene;3-methyl-9-octylcarbazole (CID 167681483) is 2-methylnaphthalene;3-methyl-9-octylcarbazole.
What is the SMILES notation for 2-methylnaphthalene;3-methyl-9-octylcarbazole?
The canonical SMILES for 2-methylnaphthalene;3-methyl-9-octylcarbazole is CCCCCCCCn1c2ccccc2c2cc(C)ccc21.Cc1ccc2ccccc2c1.
What is the InChIKey of 2-methylnaphthalene;3-methyl-9-octylcarbazole?
The InChIKey is VPJXDESIXSOTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N.C11H10/c1-3-4-5-6-7-10-15-22-20-12-9-8-11-18(20)19-16-17(2)13-14-21(19)22;1-9-6-7-10-4-2-3-5-11(10)8-9/h8-9,11-14,16H,3-7,10,15H2,1-2H3;2-8H,1H3.
What are the key properties of 2-methylnaphthalene;3-methyl-9-octylcarbazole?
2-methylnaphthalene;3-methyl-9-octylcarbazole has a molecular weight of 435.66 g/mol, XLogP of 9.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnaphthalene;3-methyl-9-octylcarbazole is sourced from PubChem (CID 167681483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).