9-(5,6-dihydronaphthalen-1-yl)-3-methyl-2-(2-methylphenyl)carbazole;ethane;1-methylnaphthalene

C43H41N — CID 144691976

IUPAC9-(5,6-dihydronaphthalen-1-yl)-3-methyl-2-(2-methylphenyl)carbazole;ethane;1-methylnaphthalene
SMILESCC.Cc1cccc2ccccc12.Cc1ccccc1-c1cc2c(cc1C)c1ccccc1n2-c1cccc2c1C=CCC2
InChIInChI=1S/C30H25N.C11H10.C2H6/c1-20-10-3-5-13-23(20)26-19-30-27(18-21(26)2)25-15-7-8-16-29(25)31(30)28-17-9-12-22-11-4-6-14-24(22)28;1-9-5-4-7-10-6-2-3-8-11(9)10;1-2/h3,5-10,12-19H,4,11H2,1-2H3;2-8H,1H3;1-2H3
InChIKeyQWTZVZXUHGZSLF-UHFFFAOYSA-N
MW571.81 g/mol
LogP12.20
Rot. Bonds2

About 9-(5,6-dihydronaphthalen-1-yl)-3-methyl-2-(2-methylphenyl)carbazole;ethane;1-methylnaphthalene

9-(5,6-dihydronaphthalen-1-yl)-3-methyl-2-(2-methylphenyl)carbazole;ethane;1-methylnaphthalene (PubChem CID 144691976) has the molecular formula C43H41N and a molecular weight of 571.81 g/mol. Its IUPAC name is 9-(5,6-dihydronaphthalen-1-yl)-3-methyl-2-(2-methylphenyl)carbazole;ethane;1-methylnaphthalene.

Molecular Properties

Compound Name9-(5,6-dihydronaphthalen-1-yl)-3-methyl-2-(2-methylphenyl)carbazole;ethane;1-methylnaphthalene
PubChem CID144691976
Molecular FormulaC43H41N
Molecular Weight571.81 g/mol
Exact Mass571.32
IUPAC Name9-(5,6-dihydronaphthalen-1-yl)-3-methyl-2-(2-methylphenyl)carbazole;ethane;1-methylnaphthalene
SMILESCC.Cc1cccc2ccccc12.Cc1ccccc1-c1cc2c(cc1C)c1ccccc1n2-c1cccc2c1C=CCC2
InChIInChI=1S/C30H25N.C11H10.C2H6/c1-20-10-3-5-13-23(20)26-19-30-27(18-21(26)2)25-15-7-8-16-29(25)31(30)28-17-9-12-22-11-4-6-14-24(22)28;1-9-5-4-7-10-6-2-3-8-11(9)10;1-2/h3,5-10,12-19H,4,11H2,1-2H3;2-8H,1H3;1-2H3
InChIKeyQWTZVZXUHGZSLF-UHFFFAOYSA-N
XLogP12.20
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.81
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
CID 129215312
9-[2-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 67374081
12-(5,6-dihydronaphthalen-1-yl)-16-thia-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,9,14,17,19,21,23-decaene
CID 142294395
6-dibenzofuran-2-yl-24-(5,6-dihydronaphthalen-1-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;ethane
CID 144604354
9-[2-[4-[2-(1,2-dihydrocarbazol-9-yl)-3-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-(2-methylphenyl)phenyl]carbazole
CID 166777780
9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 166969507
7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole
CID 139418350
10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene
CID 154947539
2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane
CID 145449640
9-[2-(2-methylphenyl)phenyl]-3-phenylcarbazole
CID 170070142
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole
CID 170136413
5-methyl-6-(2-methylphenyl)-9-phenyl-9-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 170180491

Frequently Asked Questions

What is the IUPAC name of 9-(5,6-dihydronaphthalen-1-yl)-3-methyl-2-(2-methylphenyl)carbazole;ethane;1-methylnaphthalene?
The IUPAC name of 9-(5,6-dihydronaphthalen-1-yl)-3-methyl-2-(2-methylphenyl)carbazole;ethane;1-methylnaphthalene (CID 144691976) is 9-(5,6-dihydronaphthalen-1-yl)-3-methyl-2-(2-methylphenyl)carbazole;ethane;1-methylnaphthalene.
What is the SMILES notation for 9-(5,6-dihydronaphthalen-1-yl)-3-methyl-2-(2-methylphenyl)carbazole;ethane;1-methylnaphthalene?
The canonical SMILES for 9-(5,6-dihydronaphthalen-1-yl)-3-methyl-2-(2-methylphenyl)carbazole;ethane;1-methylnaphthalene is CC.Cc1cccc2ccccc12.Cc1ccccc1-c1cc2c(cc1C)c1ccccc1n2-c1cccc2c1C=CCC2.
What is the InChIKey of 9-(5,6-dihydronaphthalen-1-yl)-3-methyl-2-(2-methylphenyl)carbazole;ethane;1-methylnaphthalene?
The InChIKey is QWTZVZXUHGZSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N.C11H10.C2H6/c1-20-10-3-5-13-23(20)26-19-30-27(18-21(26)2)25-15-7-8-16-29(25)31(30)28-17-9-12-22-11-4-6-14-24(22)28;1-9-5-4-7-10-6-2-3-8-11(9)10;1-2/h3,5-10,12-19H,4,11H2,1-2H3;2-8H,1H3;1-2H3.
What are the key properties of 9-(5,6-dihydronaphthalen-1-yl)-3-methyl-2-(2-methylphenyl)carbazole;ethane;1-methylnaphthalene?
9-(5,6-dihydronaphthalen-1-yl)-3-methyl-2-(2-methylphenyl)carbazole;ethane;1-methylnaphthalene has a molecular weight of 571.81 g/mol, XLogP of 12.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5,6-dihydronaphthalen-1-yl)-3-methyl-2-(2-methylphenyl)carbazole;ethane;1-methylnaphthalene is sourced from PubChem (CID 144691976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).