ethane;9-methylcarbazole;triphenylene

C33H29N — CID 142356751

IUPACethane;9-methylcarbazole;triphenylene
SMILESCC.Cn1c2ccccc2c2ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21
InChIInChI=1S/C18H12.C13H11N.C2H6/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-2/h1-12H;2-9H,1H3;1-2H3
InChIKeyFVQJESMGQXEKGV-UHFFFAOYSA-N
MW439.60 g/mol
LogP9.50
Rot. Bonds

About ethane;9-methylcarbazole;triphenylene

ethane;9-methylcarbazole;triphenylene (PubChem CID 142356751) has the molecular formula C33H29N and a molecular weight of 439.60 g/mol. Its IUPAC name is ethane;9-methylcarbazole;triphenylene.

Molecular Properties

Compound Nameethane;9-methylcarbazole;triphenylene
PubChem CID142356751
Molecular FormulaC33H29N
Molecular Weight439.60 g/mol
Exact Mass439.23
IUPAC Nameethane;9-methylcarbazole;triphenylene
SMILESCC.Cn1c2ccccc2c2ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21
InChIInChI=1S/C18H12.C13H11N.C2H6/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-2/h1-12H;2-9H,1H3;1-2H3
InChIKeyFVQJESMGQXEKGV-UHFFFAOYSA-N
XLogP9.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;bis(9-methylcarbazole)
CID 159710949
8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
5-methylphenanthridine-6-thione
CID 71374474
(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
CID 144690725
ethane;9-methylcarbazole;9-phenylcarbazole
CID 159293304
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
ethane;9-ethylcarbazole;9-methylcarbazole;propane
CID 158486364
9H-carbazole;9-methylcarbazole
CID 142567226
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
ethane;1,2,3-trimethylindole
CID 91590745
ethane;9-methylcarbazol-1-amine
CID 142426342

Frequently Asked Questions

What is the IUPAC name of ethane;9-methylcarbazole;triphenylene?
The IUPAC name of ethane;9-methylcarbazole;triphenylene (CID 142356751) is ethane;9-methylcarbazole;triphenylene.
What is the SMILES notation for ethane;9-methylcarbazole;triphenylene?
The canonical SMILES for ethane;9-methylcarbazole;triphenylene is CC.Cn1c2ccccc2c2ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.
What is the InChIKey of ethane;9-methylcarbazole;triphenylene?
The InChIKey is FVQJESMGQXEKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12.C13H11N.C2H6/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-2/h1-12H;2-9H,1H3;1-2H3.
What are the key properties of ethane;9-methylcarbazole;triphenylene?
ethane;9-methylcarbazole;triphenylene has a molecular weight of 439.60 g/mol, XLogP of 9.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methylcarbazole;triphenylene is sourced from PubChem (CID 142356751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).