2-[(8,8,14,14,22,22-hexamethyl-11-trimethylsilyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

C44H41NO2Si — CID 140875930

IUPAC2-[(8,8,14,14,22,22-hexamethyl-11-trimethylsilyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCC1(C)c2cccc3c2N2c4c1cc(C=C1C(=O)c5cc6ccccc6cc5C1=O)cc4C(C)(C)c1cc([Si](C)(C)C)cc(c12)C3(C)C
InChIInChI=1S/C44H41NO2Si/c1-42(2)31-15-12-16-32-37(31)45-38-33(42)18-24(17-30-40(46)28-20-25-13-10-11-14-26(25)21-29(28)41(30)47)19-34(38)44(5,6)36-23-27(48(7,8)9)22-35(39(36)45)43(32,3)4/h10-23H,1-9H3
InChIKeyHZNBVJMNGKOINP-UHFFFAOYSA-N
MW643.90 g/mol
LogP10.24
Rot. Bonds2

About 2-[(8,8,14,14,22,22-hexamethyl-11-trimethylsilyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[(8,8,14,14,22,22-hexamethyl-11-trimethylsilyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 140875930) has the molecular formula C44H41NO2Si and a molecular weight of 643.90 g/mol. Its IUPAC name is 2-[(8,8,14,14,22,22-hexamethyl-11-trimethylsilyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

Compound Name2-[(8,8,14,14,22,22-hexamethyl-11-trimethylsilyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
PubChem CID140875930
Molecular FormulaC44H41NO2Si
Molecular Weight643.90 g/mol
Exact Mass643.29
IUPAC Name2-[(8,8,14,14,22,22-hexamethyl-11-trimethylsilyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCC1(C)c2cccc3c2N2c4c1cc(C=C1C(=O)c5cc6ccccc6cc5C1=O)cc4C(C)(C)c1cc([Si](C)(C)C)cc(c12)C3(C)C
InChIInChI=1S/C44H41NO2Si/c1-42(2)31-15-12-16-32-37(31)45-38-33(42)18-24(17-30-40(46)28-20-25-13-10-11-14-26(25)21-29(28)41(30)47)19-34(38)44(5,6)36-23-27(48(7,8)9)22-35(39(36)45)43(32,3)4/h10-23H,1-9H3
InChIKeyHZNBVJMNGKOINP-UHFFFAOYSA-N
XLogP10.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.90
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[(8,8,14,14,22,22-hexamethyl-11-trimethylsilyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione 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 2-[(8,8,14,14,22,22-hexamethyl-11-trimethylsilyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of 2-[(8,8,14,14,22,22-hexamethyl-11-trimethylsilyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 140875930) is 2-[(8,8,14,14,22,22-hexamethyl-11-trimethylsilyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for 2-[(8,8,14,14,22,22-hexamethyl-11-trimethylsilyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for 2-[(8,8,14,14,22,22-hexamethyl-11-trimethylsilyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is CC1(C)c2cccc3c2N2c4c1cc(C=C1C(=O)c5cc6ccccc6cc5C1=O)cc4C(C)(C)c1cc([Si](C)(C)C)cc(c12)C3(C)C.
What is the InChIKey of 2-[(8,8,14,14,22,22-hexamethyl-11-trimethylsilyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The InChIKey is HZNBVJMNGKOINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H41NO2Si/c1-42(2)31-15-12-16-32-37(31)45-38-33(42)18-24(17-30-40(46)28-20-25-13-10-11-14-26(25)21-29(28)41(30)47)19-34(38)44(5,6)36-23-27(48(7,8)9)22-35(39(36)45)43(32,3)4/h10-23H,1-9H3.
What are the key properties of 2-[(8,8,14,14,22,22-hexamethyl-11-trimethylsilyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
2-[(8,8,14,14,22,22-hexamethyl-11-trimethylsilyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 643.90 g/mol, XLogP of 10.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8,8,14,14,22,22-hexamethyl-11-trimethylsilyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 140875930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).