(12Z)-6,7,8,9-tetrahydrobenzo[b][5,1]benzazabismocine

C14H14BiN — CID 170984119

IUPAC(12Z)-6,7,8,9-tetrahydrobenzo[b][5,1]benzazabismocine
SMILESC1=N\C=c2\cccc\c2=[Bi]\C2=C/1CCCC2
InChIInChI=1S/C14H14N.Bi/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;/h1,3-4,7,11-12H,2,5-6,9H2;/b13-11-,15-12-;
InChIKeySENDSOULTAKBJZ-TVXQHPIZSA-N
MW405.25 g/mol
LogP2.29
Rot. Bonds

About (12Z)-6,7,8,9-tetrahydrobenzo[b][5,1]benzazabismocine

(12Z)-6,7,8,9-tetrahydrobenzo[b][5,1]benzazabismocine (PubChem CID 170984119) has the molecular formula C14H14BiN and a molecular weight of 405.25 g/mol. Its IUPAC name is (12Z)-6,7,8,9-tetrahydrobenzo[b][5,1]benzazabismocine.

Molecular Properties

Compound Name(12Z)-6,7,8,9-tetrahydrobenzo[b][5,1]benzazabismocine
PubChem CID170984119
Molecular FormulaC14H14BiN
Molecular Weight405.25 g/mol
Exact Mass405.09
IUPAC Name(12Z)-6,7,8,9-tetrahydrobenzo[b][5,1]benzazabismocine
SMILESC1=N\C=c2\cccc\c2=[Bi]\C2=C/1CCCC2
InChIInChI=1S/C14H14N.Bi/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;/h1,3-4,7,11-12H,2,5-6,9H2;/b13-11-,15-12-;
InChIKeySENDSOULTAKBJZ-TVXQHPIZSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 89327957
4,8-Dimethyl-6,7-dihydroisoquinoline
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Frequently Asked Questions

What is the IUPAC name of (12Z)-6,7,8,9-tetrahydrobenzo[b][5,1]benzazabismocine?
The IUPAC name of (12Z)-6,7,8,9-tetrahydrobenzo[b][5,1]benzazabismocine (CID 170984119) is (12Z)-6,7,8,9-tetrahydrobenzo[b][5,1]benzazabismocine.
What is the SMILES notation for (12Z)-6,7,8,9-tetrahydrobenzo[b][5,1]benzazabismocine?
The canonical SMILES for (12Z)-6,7,8,9-tetrahydrobenzo[b][5,1]benzazabismocine is C1=N\C=c2\cccc\c2=[Bi]\C2=C/1CCCC2.
What is the InChIKey of (12Z)-6,7,8,9-tetrahydrobenzo[b][5,1]benzazabismocine?
The InChIKey is SENDSOULTAKBJZ-TVXQHPIZSA-N. The full InChI is InChI=1S/C14H14N.Bi/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;/h1,3-4,7,11-12H,2,5-6,9H2;/b13-11-,15-12-;.
What are the key properties of (12Z)-6,7,8,9-tetrahydrobenzo[b][5,1]benzazabismocine?
(12Z)-6,7,8,9-tetrahydrobenzo[b][5,1]benzazabismocine has a molecular weight of 405.25 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z)-6,7,8,9-tetrahydrobenzo[b][5,1]benzazabismocine is sourced from PubChem (CID 170984119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).