benzo[cd]indole

C11H7N — CID 22146199

IUPACbenzo[cd]indole
SMILESC1=Nc2cccc3cccc1c23
InChIInChI=1S/C11H7N/c1-3-8-4-2-6-10-11(8)9(5-1)7-12-10/h1-7H
InChIKeyUTCMYCAFVUUNBK-UHFFFAOYSA-N
MW153.18 g/mol
LogP2.90
Rot. Bonds

About benzo[cd]indole

benzo[cd]indole (PubChem CID 22146199) has the molecular formula C11H7N and a molecular weight of 153.18 g/mol. Its IUPAC name is benzo[cd]indole.

Molecular Properties

Compound Namebenzo[cd]indole
PubChem CID22146199
Molecular FormulaC11H7N
Molecular Weight153.18 g/mol
Exact Mass153.06
IUPAC Namebenzo[cd]indole
SMILESC1=Nc2cccc3cccc1c23
InChIInChI=1S/C11H7N/c1-3-8-4-2-6-10-11(8)9(5-1)7-12-10/h1-7H
InChIKeyUTCMYCAFVUUNBK-UHFFFAOYSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzo[cd]indol-3-ol
CID 135922640
benzo[cd]indole-6-carboxamide
CID 141026744
acenaphthylene;benzene
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11H-benzo[c][1]benzazepine;hydrochloride
CID 67058686
12-methylsulfonylbenzo[c][1]benzazocine
CID 69196627
acenaphthylene;ethane
CID 54237459
CID 162382667
CID 162382667
pyrene;dihydrobromide
CID 172822251
pyrene;zirconium
CID 175873743
10-fluorobenzo[b][1,4]benzothiazepine
CID 155677402
6,33-dimethyl-18,21-dioxa-2,10,29,37-tetrazaheptacyclo[36.7.1.14,8.131,35.012,17.022,27.042,46]octatetraconta-1(45),2,4,6,8(48),12,14,16,22,24,26,31(47),32,34,36,38,40,42(46),43-nonadecaene-47,48-diol
CID 136722221
acenaphthylene;dibromonickel
CID 161160436

Frequently Asked Questions

What is the IUPAC name of benzo[cd]indole?
The IUPAC name of benzo[cd]indole (CID 22146199) is benzo[cd]indole.
What is the SMILES notation for benzo[cd]indole?
The canonical SMILES for benzo[cd]indole is C1=Nc2cccc3cccc1c23.
What is the InChIKey of benzo[cd]indole?
The InChIKey is UTCMYCAFVUUNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N/c1-3-8-4-2-6-10-11(8)9(5-1)7-12-10/h1-7H.
What are the key properties of benzo[cd]indole?
benzo[cd]indole has a molecular weight of 153.18 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[cd]indole is sourced from PubChem (CID 22146199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).