CID 134946831

C23H34AlN2- — CID 134946831

IUPAC—
SMILESCc1cc(C)c(N2[AlH2-]N(c3c(C)cc(C)cc3C)C(C)CC2C)c(C)c1
InChIInChI=1S/C23H32N2.Al.2H/c1-14-9-16(3)22(17(4)10-14)24-20(7)13-21(8)25-23-18(5)11-15(2)12-19(23)6;;;/h9-12,20-21H,13H2,1-8H3;;;/q-2;+1;;
InChIKeyMFTPVTLPVOKSQQ-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.03
Rot. Bonds2

About CID 134946831

CID 134946831 (PubChem CID 134946831) has the molecular formula C23H34AlN2- and a molecular weight of 365.52 g/mol.

Molecular Properties

Compound NameCID 134946831
PubChem CID134946831
Molecular FormulaC23H34AlN2-
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name—
SMILESCc1cc(C)c(N2[AlH2-]N(c3c(C)cc(C)cc3C)C(C)CC2C)c(C)c1
InChIInChI=1S/C23H32N2.Al.2H/c1-14-9-16(3)22(17(4)10-14)24-20(7)13-21(8)25-23-18(5)11-15(2)12-19(23)6;;;/h9-12,20-21H,13H2,1-8H3;;;/q-2;+1;;
InChIKeyMFTPVTLPVOKSQQ-UHFFFAOYSA-N
XLogP5.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 134946831?
The IUPAC name of CID 134946831 (CID 134946831) is not available.
What is the SMILES notation for CID 134946831?
The canonical SMILES for CID 134946831 is Cc1cc(C)c(N2[AlH2-]N(c3c(C)cc(C)cc3C)C(C)CC2C)c(C)c1.
What is the InChIKey of CID 134946831?
The InChIKey is MFTPVTLPVOKSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2.Al.2H/c1-14-9-16(3)22(17(4)10-14)24-20(7)13-21(8)25-23-18(5)11-15(2)12-19(23)6;;;/h9-12,20-21H,13H2,1-8H3;;;/q-2;+1;;.
What are the key properties of CID 134946831?
CID 134946831 has a molecular weight of 365.52 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134946831 is sourced from PubChem (CID 134946831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).