16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one

C41H26N2O — CID 146638509

IUPAC16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one
SMILESO=c1c2cc(-c3ccccc3)ccc2n2c(-c3ccccc3)c3c4ccccc4c4ccccc4c3c2n1-c1ccccc1
InChIInChI=1S/C41H26N2O/c44-41-35-26-29(27-14-4-1-5-15-27)24-25-36(35)43-39(28-16-6-2-7-17-28)37-33-22-12-10-20-31(33)32-21-11-13-23-34(32)38(37)40(43)42(41)30-18-8-3-9-19-30/h1-26H
InChIKeyXHRYLXXJHDOBEM-UHFFFAOYSA-N
MW562.67 g/mol
LogP10.04
Rot. Bonds3

About 16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one

16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one (PubChem CID 146638509) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is 16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one.

Molecular Properties

Compound Name16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one
PubChem CID146638509
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC Name16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one
SMILESO=c1c2cc(-c3ccccc3)ccc2n2c(-c3ccccc3)c3c4ccccc4c4ccccc4c3c2n1-c1ccccc1
InChIInChI=1S/C41H26N2O/c44-41-35-26-29(27-14-4-1-5-15-27)24-25-36(35)43-39(28-16-6-2-7-17-28)37-33-22-12-10-20-31(33)32-21-11-13-23-34(32)38(37)40(43)42(41)30-18-8-3-9-19-30/h1-26H
InChIKeyXHRYLXXJHDOBEM-UHFFFAOYSA-N
XLogP10.04
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one with MolForge

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Related Compounds

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CID 142451944
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
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CID 118390314
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Frequently Asked Questions

What is the IUPAC name of 16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one?
The IUPAC name of 16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one (CID 146638509) is 16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one.
What is the SMILES notation for 16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one?
The canonical SMILES for 16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one is O=c1c2cc(-c3ccccc3)ccc2n2c(-c3ccccc3)c3c4ccccc4c4ccccc4c3c2n1-c1ccccc1.
What is the InChIKey of 16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one?
The InChIKey is XHRYLXXJHDOBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c44-41-35-26-29(27-14-4-1-5-15-27)24-25-36(35)43-39(28-16-6-2-7-17-28)37-33-22-12-10-20-31(33)32-21-11-13-23-34(32)38(37)40(43)42(41)30-18-8-3-9-19-30/h1-26H.
What are the key properties of 16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one?
16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one has a molecular weight of 562.67 g/mol, XLogP of 10.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16,20,25-triphenyl-16,24-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,18(23),19,21-undecaen-17-one is sourced from PubChem (CID 146638509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).