ethane;9-methylcarbazole;9-phenylcarbazole

C43H60N2 — CID 159293304

IUPACethane;9-methylcarbazole;9-phenylcarbazole
SMILESCC.CC.CC.CC.CC.CC.Cn1c2ccccc2c2ccccc21.c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C18H13N.C13H11N.6C2H6/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;6*1-2/h1-13H;2-9H,1H3;6*1-2H3
InChIKeyLAKAIZBYTDELKL-UHFFFAOYSA-N
MW604.97 g/mol
LogP14.27
Rot. Bonds1

About ethane;9-methylcarbazole;9-phenylcarbazole

ethane;9-methylcarbazole;9-phenylcarbazole (PubChem CID 159293304) has the molecular formula C43H60N2 and a molecular weight of 604.97 g/mol. Its IUPAC name is ethane;9-methylcarbazole;9-phenylcarbazole.

Molecular Properties

Compound Nameethane;9-methylcarbazole;9-phenylcarbazole
PubChem CID159293304
Molecular FormulaC43H60N2
Molecular Weight604.97 g/mol
Exact Mass604.48
IUPAC Nameethane;9-methylcarbazole;9-phenylcarbazole
SMILESCC.CC.CC.CC.CC.CC.Cn1c2ccccc2c2ccccc21.c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C18H13N.C13H11N.6C2H6/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;6*1-2/h1-13H;2-9H,1H3;6*1-2H3
InChIKeyLAKAIZBYTDELKL-UHFFFAOYSA-N
XLogP14.27
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.97
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole)
CID 159506518
ethane;bis(9-methylcarbazole)
CID 159710949
ethane;9-methylcarbazole;triphenylene
CID 142356751
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole
CID 160749853
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 153276106
(2E,3Z)-2,3-di(ethylidene)-1-phenylindole;ethane;9-methylcarbazole
CID 142288602
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene
CID 158058919
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
9-phenylcarbazole;pyridine
CID 158880805
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318

Frequently Asked Questions

What is the IUPAC name of ethane;9-methylcarbazole;9-phenylcarbazole?
The IUPAC name of ethane;9-methylcarbazole;9-phenylcarbazole (CID 159293304) is ethane;9-methylcarbazole;9-phenylcarbazole.
What is the SMILES notation for ethane;9-methylcarbazole;9-phenylcarbazole?
The canonical SMILES for ethane;9-methylcarbazole;9-phenylcarbazole is CC.CC.CC.CC.CC.CC.Cn1c2ccccc2c2ccccc21.c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of ethane;9-methylcarbazole;9-phenylcarbazole?
The InChIKey is LAKAIZBYTDELKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N.C13H11N.6C2H6/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;6*1-2/h1-13H;2-9H,1H3;6*1-2H3.
What are the key properties of ethane;9-methylcarbazole;9-phenylcarbazole?
ethane;9-methylcarbazole;9-phenylcarbazole has a molecular weight of 604.97 g/mol, XLogP of 14.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methylcarbazole;9-phenylcarbazole is sourced from PubChem (CID 159293304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).