12-methyl-9-(2-phenylethynyl)naphtho[2,3-a]carbazole

C29H19N — CID 90260143

IUPAC12-methyl-9-(2-phenylethynyl)naphtho[2,3-a]carbazole
SMILESCn1c2ccc(C#Cc3ccccc3)cc2c2ccc3cc4ccccc4cc3c21
InChIInChI=1S/C29H19N/c1-30-28-16-13-21(12-11-20-7-3-2-4-8-20)17-27(28)25-15-14-24-18-22-9-5-6-10-23(22)19-26(24)29(25)30/h2-10,13-19H,1H3
InChIKeyKQXPYIGPWWACCB-UHFFFAOYSA-N
MW381.48 g/mol
LogP7.04
Rot. Bonds

About 12-methyl-9-(2-phenylethynyl)naphtho[2,3-a]carbazole

12-methyl-9-(2-phenylethynyl)naphtho[2,3-a]carbazole (PubChem CID 90260143) has the molecular formula C29H19N and a molecular weight of 381.48 g/mol. Its IUPAC name is 12-methyl-9-(2-phenylethynyl)naphtho[2,3-a]carbazole.

Molecular Properties

Compound Name12-methyl-9-(2-phenylethynyl)naphtho[2,3-a]carbazole
PubChem CID90260143
Molecular FormulaC29H19N
Molecular Weight381.48 g/mol
Exact Mass381.15
IUPAC Name12-methyl-9-(2-phenylethynyl)naphtho[2,3-a]carbazole
SMILESCn1c2ccc(C#Cc3ccccc3)cc2c2ccc3cc4ccccc4cc3c21
InChIInChI=1S/C29H19N/c1-30-28-16-13-21(12-11-20-7-3-2-4-8-20)17-27(28)25-15-14-24-18-22-9-5-6-10-23(22)19-26(24)29(25)30/h2-10,13-19H,1H3
InChIKeyKQXPYIGPWWACCB-UHFFFAOYSA-N
XLogP7.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

7H-Dibenzo(c,g)carbazole
CID 9134
DIBENZ(a,h)ACRIDINE
CID 9183
Avn-101
CID 42631003
Benzo[a]carbazole
CID 9196
Dibenz(a,c)acridine
CID 9165
7,9-Dimethylbenz(c)acridine
CID 13757
9-Methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole
CID 135393502
Carbazole, 1,4,9-trimethyl-
CID 146420
1H-Indole, 3-((4-methyl-1-naphthalenyl)methyl)-1-pentyl-
CID 85879908
5H-benzo[b]carbazole
CID 9202
7H-Benzo[c]carbazole
CID 67459
N-Butylcarbazole
CID 73872

Frequently Asked Questions

What is the IUPAC name of 12-methyl-9-(2-phenylethynyl)naphtho[2,3-a]carbazole?
The IUPAC name of 12-methyl-9-(2-phenylethynyl)naphtho[2,3-a]carbazole (CID 90260143) is 12-methyl-9-(2-phenylethynyl)naphtho[2,3-a]carbazole.
What is the SMILES notation for 12-methyl-9-(2-phenylethynyl)naphtho[2,3-a]carbazole?
The canonical SMILES for 12-methyl-9-(2-phenylethynyl)naphtho[2,3-a]carbazole is Cn1c2ccc(C#Cc3ccccc3)cc2c2ccc3cc4ccccc4cc3c21.
What is the InChIKey of 12-methyl-9-(2-phenylethynyl)naphtho[2,3-a]carbazole?
The InChIKey is KQXPYIGPWWACCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N/c1-30-28-16-13-21(12-11-20-7-3-2-4-8-20)17-27(28)25-15-14-24-18-22-9-5-6-10-23(22)19-26(24)29(25)30/h2-10,13-19H,1H3.
What are the key properties of 12-methyl-9-(2-phenylethynyl)naphtho[2,3-a]carbazole?
12-methyl-9-(2-phenylethynyl)naphtho[2,3-a]carbazole has a molecular weight of 381.48 g/mol, XLogP of 7.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-9-(2-phenylethynyl)naphtho[2,3-a]carbazole is sourced from PubChem (CID 90260143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).