2-chloro-11-methylnaphtho[2,1-a]carbazole

C21H14ClN — CID 89117391

IUPAC2-chloro-11-methylnaphtho[2,1-a]carbazole
SMILESCn1c2ccccc2c2ccc3c4ccc(Cl)cc4ccc3c21
InChIInChI=1S/C21H14ClN/c1-23-20-5-3-2-4-17(20)19-11-10-16-15-9-7-14(22)12-13(15)6-8-18(16)21(19)23/h2-12H,1H3
InChIKeyOTCMVJPQRSZNDV-UHFFFAOYSA-N
MW315.80 g/mol
LogP6.29
Rot. Bonds

About 2-chloro-11-methylnaphtho[2,1-a]carbazole

2-chloro-11-methylnaphtho[2,1-a]carbazole (PubChem CID 89117391) has the molecular formula C21H14ClN and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-chloro-11-methylnaphtho[2,1-a]carbazole.

Molecular Properties

Compound Name2-chloro-11-methylnaphtho[2,1-a]carbazole
PubChem CID89117391
Molecular FormulaC21H14ClN
Molecular Weight315.80 g/mol
Exact Mass315.08
IUPAC Name2-chloro-11-methylnaphtho[2,1-a]carbazole
SMILESCn1c2ccccc2c2ccc3c4ccc(Cl)cc4ccc3c21
InChIInChI=1S/C21H14ClN/c1-23-20-5-3-2-4-17(20)19-11-10-16-15-9-7-14(22)12-13(15)6-8-18(16)21(19)23/h2-12H,1H3
InChIKeyOTCMVJPQRSZNDV-UHFFFAOYSA-N
XLogP6.29
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.80
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

11-methyl-3-(6-methylnaphthalen-2-yl)benzo[a]carbazole
CID 58410457
11-methyl-2-tetradecylnaphtho[2,1-a]carbazole
CID 90260138
12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole
CID 163692832
N-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide
CID 14596879
5,11-dimethylbenzo[a]carbazole
CID 58410472
5-chloro-8,15-diazaoctacyclo[13.12.3.02,7.08,28.09,14.016,21.022,30.025,29]triaconta-1(28),2(7),3,5,9,11,13,16,18,20,22(30),23,25(29),26-tetradecaene
CID 154967711
3-methyl-24-thia-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 166026535
11-(6-chloronaphthalen-2-yl)benzo[a]carbazole
CID 167038091
18-chloropentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 89117403
5-chloro-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 130456935
7-methyl-10-(11-methylbenzo[a]carbazol-3-yl)benzo[c]carbazole
CID 134240713
1-fluoro-9-methylcarbazole
CID 139447921

Frequently Asked Questions

What is the IUPAC name of 2-chloro-11-methylnaphtho[2,1-a]carbazole?
The IUPAC name of 2-chloro-11-methylnaphtho[2,1-a]carbazole (CID 89117391) is 2-chloro-11-methylnaphtho[2,1-a]carbazole.
What is the SMILES notation for 2-chloro-11-methylnaphtho[2,1-a]carbazole?
The canonical SMILES for 2-chloro-11-methylnaphtho[2,1-a]carbazole is Cn1c2ccccc2c2ccc3c4ccc(Cl)cc4ccc3c21.
What is the InChIKey of 2-chloro-11-methylnaphtho[2,1-a]carbazole?
The InChIKey is OTCMVJPQRSZNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN/c1-23-20-5-3-2-4-17(20)19-11-10-16-15-9-7-14(22)12-13(15)6-8-18(16)21(19)23/h2-12H,1H3.
What are the key properties of 2-chloro-11-methylnaphtho[2,1-a]carbazole?
2-chloro-11-methylnaphtho[2,1-a]carbazole has a molecular weight of 315.80 g/mol, XLogP of 6.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-11-methylnaphtho[2,1-a]carbazole is sourced from PubChem (CID 89117391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).