3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole

C24H19N — CID 144661628

IUPAC3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole
SMILESCc1cc(-c2ccc3[nH]c4ccccc4c3c2)c2ccccc2c1C
InChIInChI=1S/C24H19N/c1-15-13-21(19-8-4-3-7-18(19)16(15)2)17-11-12-24-22(14-17)20-9-5-6-10-23(20)25-24/h3-14,25H,1-2H3
InChIKeySICWZMFMQDQBNQ-UHFFFAOYSA-N
MW321.42 g/mol
LogP6.76
Rot. Bonds1

About 3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole

3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole (PubChem CID 144661628) has the molecular formula C24H19N and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole.

Molecular Properties

Compound Name3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole
PubChem CID144661628
Molecular FormulaC24H19N
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC Name3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole
SMILESCc1cc(-c2ccc3[nH]c4ccccc4c3c2)c2ccccc2c1C
InChIInChI=1S/C24H19N/c1-15-13-21(19-8-4-3-7-18(19)16(15)2)17-11-12-24-22(14-17)20-9-5-6-10-23(20)25-24/h3-14,25H,1-2H3
InChIKeySICWZMFMQDQBNQ-UHFFFAOYSA-N
XLogP6.76
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
19-(9H-carbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135162968
3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole
CID 59306803
3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole
CID 90180362
3,6-bis(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole
CID 59306810
3,6-bis(3-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole
CID 118369111
3-(6-phenylpyren-1-yl)-9H-carbazole
CID 134424912
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
9H-carbazole;ethane
CID 91098062
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole
CID 66668984
benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole
CID 143905034

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole?
The IUPAC name of 3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole (CID 144661628) is 3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole.
What is the SMILES notation for 3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole?
The canonical SMILES for 3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole is Cc1cc(-c2ccc3[nH]c4ccccc4c3c2)c2ccccc2c1C.
What is the InChIKey of 3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole?
The InChIKey is SICWZMFMQDQBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N/c1-15-13-21(19-8-4-3-7-18(19)16(15)2)17-11-12-24-22(14-17)20-9-5-6-10-23(20)25-24/h3-14,25H,1-2H3.
What are the key properties of 3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole?
3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole has a molecular weight of 321.42 g/mol, XLogP of 6.76, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole is sourced from PubChem (CID 144661628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).