22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene

C40H25NO — CID 122465786

IUPAC22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5oc6cc7ccccc7cc6c5cc43)c2)cc1
InChIInChI=1S/C40H25NO/c1-3-11-26(12-4-1)30-19-31(27-13-5-2-6-14-27)21-32(20-30)41-37-18-10-9-17-33(37)34-25-40-36(24-38(34)41)35-22-28-15-7-8-16-29(28)23-39(35)42-40/h1-25H
InChIKeyWNAOGZGIZOSAHG-UHFFFAOYSA-N
MW535.65 g/mol
LogP11.17
Rot. Bonds3

About 22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene

22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene (PubChem CID 122465786) has the molecular formula C40H25NO and a molecular weight of 535.65 g/mol. Its IUPAC name is 22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene.

Molecular Properties

Compound Name22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene
PubChem CID122465786
Molecular FormulaC40H25NO
Molecular Weight535.65 g/mol
Exact Mass535.19
IUPAC Name22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5oc6cc7ccccc7cc6c5cc43)c2)cc1
InChIInChI=1S/C40H25NO/c1-3-11-26(12-4-1)30-19-31(27-13-5-2-6-14-27)21-32(20-30)41-37-18-10-9-17-33(37)34-25-40-36(24-38(34)41)35-22-28-15-7-8-16-29(28)23-39(35)42-40/h1-25H
InChIKeyWNAOGZGIZOSAHG-UHFFFAOYSA-N
XLogP11.17
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene with MolForge

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Related Compounds

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CID 167193420
11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
CID 163758695
30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene
CID 118614794
16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122465584
11-(3,5-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)indolo[3,2-b]carbazole
CID 118318933
2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163416723
9-(3,5-diphenylphenyl)carbazole
CID 86068368
5-[3-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 166917850
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118488600
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163842571
5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 160597289

Frequently Asked Questions

What is the IUPAC name of 22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene?
The IUPAC name of 22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene (CID 122465786) is 22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene.
What is the SMILES notation for 22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene?
The canonical SMILES for 22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5oc6cc7ccccc7cc6c5cc43)c2)cc1.
What is the InChIKey of 22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene?
The InChIKey is WNAOGZGIZOSAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO/c1-3-11-26(12-4-1)30-19-31(27-13-5-2-6-14-27)21-32(20-30)41-37-18-10-9-17-33(37)34-25-40-36(24-38(34)41)35-22-28-15-7-8-16-29(28)23-39(35)42-40/h1-25H.
What are the key properties of 22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene?
22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene has a molecular weight of 535.65 g/mol, XLogP of 11.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 122465786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).