9-methyl-1-(7-methylbenzo[7]annulen-7-yl)carbazole

C25H21N — CID 170211435

IUPAC9-methyl-1-(7-methylbenzo[7]annulen-7-yl)carbazole
SMILESCn1c2ccccc2c2cccc(C3(C)C=Cc4ccccc4C=C3)c21
InChIInChI=1S/C25H21N/c1-25(16-14-18-8-3-4-9-19(18)15-17-25)22-12-7-11-21-20-10-5-6-13-23(20)26(2)24(21)22/h3-17H,1-2H3
InChIKeyGGBPQOGWHLZRQA-UHFFFAOYSA-N
MW335.45 g/mol
LogP6.33
Rot. Bonds1

About 9-methyl-1-(7-methylbenzo[7]annulen-7-yl)carbazole

9-methyl-1-(7-methylbenzo[7]annulen-7-yl)carbazole (PubChem CID 170211435) has the molecular formula C25H21N and a molecular weight of 335.45 g/mol. Its IUPAC name is 9-methyl-1-(7-methylbenzo[7]annulen-7-yl)carbazole.

Molecular Properties

Compound Name9-methyl-1-(7-methylbenzo[7]annulen-7-yl)carbazole
PubChem CID170211435
Molecular FormulaC25H21N
Molecular Weight335.45 g/mol
Exact Mass335.17
IUPAC Name9-methyl-1-(7-methylbenzo[7]annulen-7-yl)carbazole
SMILESCn1c2ccccc2c2cccc(C3(C)C=Cc4ccccc4C=C3)c21
InChIInChI=1S/C25H21N/c1-25(16-14-18-8-3-4-9-19(18)15-17-25)22-12-7-11-21-20-10-5-6-13-23(20)26(2)24(21)22/h3-17H,1-2H3
InChIKeyGGBPQOGWHLZRQA-UHFFFAOYSA-N
XLogP6.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 12555402
ethane;9-methylcarbazole;triphenylene
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4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline
CID 146558759
5,11-dimethylbenzo[a]carbazole
CID 58410472
9-methyl-1-prop-1-en-2-ylcarbazole
CID 142568920
4-methylselenopheno[2,3-b]indole
CID 155771410
9-methyl-N,N-diphenylcarbazol-1-amine
CID 126631131
1,2-diethyl-9-methylcarbazole
CID 174753838

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-(7-methylbenzo[7]annulen-7-yl)carbazole?
The IUPAC name of 9-methyl-1-(7-methylbenzo[7]annulen-7-yl)carbazole (CID 170211435) is 9-methyl-1-(7-methylbenzo[7]annulen-7-yl)carbazole.
What is the SMILES notation for 9-methyl-1-(7-methylbenzo[7]annulen-7-yl)carbazole?
The canonical SMILES for 9-methyl-1-(7-methylbenzo[7]annulen-7-yl)carbazole is Cn1c2ccccc2c2cccc(C3(C)C=Cc4ccccc4C=C3)c21.
What is the InChIKey of 9-methyl-1-(7-methylbenzo[7]annulen-7-yl)carbazole?
The InChIKey is GGBPQOGWHLZRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N/c1-25(16-14-18-8-3-4-9-19(18)15-17-25)22-12-7-11-21-20-10-5-6-13-23(20)26(2)24(21)22/h3-17H,1-2H3.
What are the key properties of 9-methyl-1-(7-methylbenzo[7]annulen-7-yl)carbazole?
9-methyl-1-(7-methylbenzo[7]annulen-7-yl)carbazole has a molecular weight of 335.45 g/mol, XLogP of 6.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-(7-methylbenzo[7]annulen-7-yl)carbazole is sourced from PubChem (CID 170211435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).