7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene

C34H21NO — CID 118545773

IUPAC7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene
SMILESc1ccc(-c2ccc3[nH]c4c(ccc5ccc6c7cc(-c8ccccc8)ccc7oc6c54)c3c2)cc1
InChIInChI=1S/C34H21NO/c1-3-7-21(8-4-1)24-13-17-30-28(19-24)26-15-11-23-12-16-27-29-20-25(22-9-5-2-6-10-22)14-18-31(29)36-34(27)32(23)33(26)35-30/h1-20,35H
InChIKeyUMSNKRDROFGQGC-UHFFFAOYSA-N
MW459.55 g/mol
LogP9.71
Rot. Bonds2

About 7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene

7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene (PubChem CID 118545773) has the molecular formula C34H21NO and a molecular weight of 459.55 g/mol. Its IUPAC name is 7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene.

Molecular Properties

Compound Name7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene
PubChem CID118545773
Molecular FormulaC34H21NO
Molecular Weight459.55 g/mol
Exact Mass459.16
IUPAC Name7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene
SMILESc1ccc(-c2ccc3[nH]c4c(ccc5ccc6c7cc(-c8ccccc8)ccc7oc6c54)c3c2)cc1
InChIInChI=1S/C34H21NO/c1-3-7-21(8-4-1)24-13-17-30-28(19-24)26-15-11-23-12-16-27-29-20-25(22-9-5-2-6-10-22)14-18-31(29)36-34(27)32(23)33(26)35-30/h1-20,35H
InChIKeyUMSNKRDROFGQGC-UHFFFAOYSA-N
XLogP9.71
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 59.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene with MolForge

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Related Compounds

3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 90219451
5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;5-phenyl-16-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;16-phenyl-5-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;5-phenyl-16-[4-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;16-phenyl-5-[4-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 161042353
5-phenyl-16-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 58004094
5-phenyl-16-[4-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 58004207
9-(4-bromophenyl)-12H-[1]benzofuro[3,2-a]carbazole
CID 142742550
5-phenyl-16-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;5-phenyl-16-[4-(5-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;16-phenyl-5-[3-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene;16-phenyl-5-[4-(16-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 160960033
18-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 126621732
5-phenyl-16-[3-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 142487782
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
CID 130190112
17-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 146440204
3-dibenzofuran-4-yl-6-(4-phenylphenyl)-9H-carbazole
CID 66800210
8-pyren-2-ylnaphtho[1,2-b][1]benzofuran
CID 139341199

Frequently Asked Questions

What is the IUPAC name of 7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene?
The IUPAC name of 7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene (CID 118545773) is 7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene.
What is the SMILES notation for 7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene?
The canonical SMILES for 7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene is c1ccc(-c2ccc3[nH]c4c(ccc5ccc6c7cc(-c8ccccc8)ccc7oc6c54)c3c2)cc1.
What is the InChIKey of 7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene?
The InChIKey is UMSNKRDROFGQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21NO/c1-3-7-21(8-4-1)24-13-17-30-28(19-24)26-15-11-23-12-16-27-29-20-25(22-9-5-2-6-10-22)14-18-31(29)36-34(27)32(23)33(26)35-30/h1-20,35H.
What are the key properties of 7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene?
7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene has a molecular weight of 459.55 g/mol, XLogP of 9.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,19-diphenyl-3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17(22),18,20-undecaene is sourced from PubChem (CID 118545773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).