12,21-dimethyl-22-[(Z)-prop-1-enyl]-12-azahexacyclo[15.3.2.02,7.08,20.011,19.013,18]docosa-2,4,6,8(20),9,11(19),13,15,17,21-decaene

C26H21N — CID 160913672

IUPAC12,21-dimethyl-22-[(Z)-prop-1-enyl]-12-azahexacyclo[15.3.2.02,7.08,20.011,19.013,18]docosa-2,4,6,8(20),9,11(19),13,15,17,21-decaene
SMILESC/C=C\C1=C(C)C2c3ccccc3-c3ccc4c(c32)c2c1cccc2n4C
InChIInChI=1S/C26H21N/c1-4-8-16-15(2)23-19-10-6-5-9-17(19)20-13-14-22-26(25(20)23)24-18(16)11-7-12-21(24)27(22)3/h4-14,23H,1-3H3/b8-4-
InChIKeyOYCVFFAVUAUJNR-YWEYNIOJSA-N
MW347.46 g/mol
LogP6.81
Rot. Bonds1

About 12,21-dimethyl-22-[(Z)-prop-1-enyl]-12-azahexacyclo[15.3.2.02,7.08,20.011,19.013,18]docosa-2,4,6,8(20),9,11(19),13,15,17,21-decaene

12,21-dimethyl-22-[(Z)-prop-1-enyl]-12-azahexacyclo[15.3.2.02,7.08,20.011,19.013,18]docosa-2,4,6,8(20),9,11(19),13,15,17,21-decaene (PubChem CID 160913672) has the molecular formula C26H21N and a molecular weight of 347.46 g/mol. Its IUPAC name is 12,21-dimethyl-22-[(Z)-prop-1-enyl]-12-azahexacyclo[15.3.2.02,7.08,20.011,19.013,18]docosa-2,4,6,8(20),9,11(19),13,15,17,21-decaene.

Molecular Properties

Compound Name12,21-dimethyl-22-[(Z)-prop-1-enyl]-12-azahexacyclo[15.3.2.02,7.08,20.011,19.013,18]docosa-2,4,6,8(20),9,11(19),13,15,17,21-decaene
PubChem CID160913672
Molecular FormulaC26H21N
Molecular Weight347.46 g/mol
Exact Mass347.17
IUPAC Name12,21-dimethyl-22-[(Z)-prop-1-enyl]-12-azahexacyclo[15.3.2.02,7.08,20.011,19.013,18]docosa-2,4,6,8(20),9,11(19),13,15,17,21-decaene
SMILESC/C=C\C1=C(C)C2c3ccccc3-c3ccc4c(c32)c2c1cccc2n4C
InChIInChI=1S/C26H21N/c1-4-8-16-15(2)23-19-10-6-5-9-17(19)20-13-14-22-26(25(20)23)24-18(16)11-7-12-21(24)27(22)3/h4-14,23H,1-3H3/b8-4-
InChIKeyOYCVFFAVUAUJNR-YWEYNIOJSA-N
XLogP6.81
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 12,21-dimethyl-22-[(Z)-prop-1-enyl]-12-azahexacyclo[15.3.2.02,7.08,20.011,19.013,18]docosa-2,4,6,8(20),9,11(19),13,15,17,21-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 12,21-dimethyl-22-[(Z)-prop-1-enyl]-12-azahexacyclo[15.3.2.02,7.08,20.011,19.013,18]docosa-2,4,6,8(20),9,11(19),13,15,17,21-decaene?
The IUPAC name of 12,21-dimethyl-22-[(Z)-prop-1-enyl]-12-azahexacyclo[15.3.2.02,7.08,20.011,19.013,18]docosa-2,4,6,8(20),9,11(19),13,15,17,21-decaene (CID 160913672) is 12,21-dimethyl-22-[(Z)-prop-1-enyl]-12-azahexacyclo[15.3.2.02,7.08,20.011,19.013,18]docosa-2,4,6,8(20),9,11(19),13,15,17,21-decaene.
What is the SMILES notation for 12,21-dimethyl-22-[(Z)-prop-1-enyl]-12-azahexacyclo[15.3.2.02,7.08,20.011,19.013,18]docosa-2,4,6,8(20),9,11(19),13,15,17,21-decaene?
The canonical SMILES for 12,21-dimethyl-22-[(Z)-prop-1-enyl]-12-azahexacyclo[15.3.2.02,7.08,20.011,19.013,18]docosa-2,4,6,8(20),9,11(19),13,15,17,21-decaene is C/C=C\C1=C(C)C2c3ccccc3-c3ccc4c(c32)c2c1cccc2n4C.
What is the InChIKey of 12,21-dimethyl-22-[(Z)-prop-1-enyl]-12-azahexacyclo[15.3.2.02,7.08,20.011,19.013,18]docosa-2,4,6,8(20),9,11(19),13,15,17,21-decaene?
The InChIKey is OYCVFFAVUAUJNR-YWEYNIOJSA-N. The full InChI is InChI=1S/C26H21N/c1-4-8-16-15(2)23-19-10-6-5-9-17(19)20-13-14-22-26(25(20)23)24-18(16)11-7-12-21(24)27(22)3/h4-14,23H,1-3H3/b8-4-.
What are the key properties of 12,21-dimethyl-22-[(Z)-prop-1-enyl]-12-azahexacyclo[15.3.2.02,7.08,20.011,19.013,18]docosa-2,4,6,8(20),9,11(19),13,15,17,21-decaene?
12,21-dimethyl-22-[(Z)-prop-1-enyl]-12-azahexacyclo[15.3.2.02,7.08,20.011,19.013,18]docosa-2,4,6,8(20),9,11(19),13,15,17,21-decaene has a molecular weight of 347.46 g/mol, XLogP of 6.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,21-dimethyl-22-[(Z)-prop-1-enyl]-12-azahexacyclo[15.3.2.02,7.08,20.011,19.013,18]docosa-2,4,6,8(20),9,11(19),13,15,17,21-decaene is sourced from PubChem (CID 160913672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).