16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene

C30H21NO — CID 155680755

IUPAC16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
SMILESCc1ccc2c(c1)c1cc3c(oc4ccc5ccccc5c43)c(-c3ccccc3)c1n2C
InChIInChI=1S/C30H21NO/c1-18-12-14-25-22(16-18)23-17-24-28-21-11-7-6-8-19(21)13-15-26(28)32-30(24)27(29(23)31(25)2)20-9-4-3-5-10-20/h3-17H,1-2H3
InChIKeyDIFXTYHLVBJLKV-UHFFFAOYSA-N
MW411.50 g/mol
LogP8.36
Rot. Bonds1

About 16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene

16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene (PubChem CID 155680755) has the molecular formula C30H21NO and a molecular weight of 411.50 g/mol. Its IUPAC name is 16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene.

Molecular Properties

Compound Name16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
PubChem CID155680755
Molecular FormulaC30H21NO
Molecular Weight411.50 g/mol
Exact Mass411.16
IUPAC Name16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
SMILESCc1ccc2c(c1)c1cc3c(oc4ccc5ccccc5c43)c(-c3ccccc3)c1n2C
InChIInChI=1S/C30H21NO/c1-18-12-14-25-22(16-18)23-17-24-28-21-11-7-6-8-19(21)13-15-26(28)32-30(24)27(29(23)31(25)2)20-9-4-3-5-10-20/h3-17H,1-2H3
InChIKeyDIFXTYHLVBJLKV-UHFFFAOYSA-N
XLogP8.36
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene with MolForge

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Related Compounds

14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130190122
4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol
CID 155680737
8-(2,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2-methyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 161162525
3-methyl-14-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 166026678
10-methyl-3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 134487603
14-[3-(10-phenylanthracen-9-yl)phenyl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
CID 130190537
2-methyl-6-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazole
CID 145358192
6-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88569932
11-methyl-6-phenyl-[1]benzofuro[3,2-b]carbazole
CID 169027972
19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene
CID 130190242
2-(4-methylphenyl)-4,6-bis(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)pyrimidine
CID 126551430
14-[3-(4-bromophenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 118616105

Frequently Asked Questions

What is the IUPAC name of 16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?
The IUPAC name of 16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene (CID 155680755) is 16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene.
What is the SMILES notation for 16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?
The canonical SMILES for 16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene is Cc1ccc2c(c1)c1cc3c(oc4ccc5ccccc5c43)c(-c3ccccc3)c1n2C.
What is the InChIKey of 16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?
The InChIKey is DIFXTYHLVBJLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO/c1-18-12-14-25-22(16-18)23-17-24-28-21-11-7-6-8-19(21)13-15-26(28)32-30(24)27(29(23)31(25)2)20-9-4-3-5-10-20/h3-17H,1-2H3.
What are the key properties of 16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene?
16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene has a molecular weight of 411.50 g/mol, XLogP of 8.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene is sourced from PubChem (CID 155680755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).