15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene

C34H23N3O+2 — CID 158083057

IUPAC15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene
SMILESCc1c(-c2ccccc2)c2c3c(c1-c1ccccc1)-c1cccc[n+]1C31c3c(cccc3-n3ccc[n+]31)O2
InChIInChI=1S/C34H23N3O/c1-22-28(23-12-4-2-5-13-23)30-25-16-8-9-19-35(25)34-31-26(36-20-11-21-37(34)36)17-10-18-27(31)38-33(32(30)34)29(22)24-14-6-3-7-15-24/h2-21H,1H3/q+2
InChIKeyYWRSQSUBTCPVQQ-UHFFFAOYSA-N
MW489.58 g/mol
LogP6.39
Rot. Bonds2

About 15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene

15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene (PubChem CID 158083057) has the molecular formula C34H23N3O+2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene.

Molecular Properties

Compound Name15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene
PubChem CID158083057
Molecular FormulaC34H23N3O+2
Molecular Weight489.58 g/mol
Exact Mass489.18
IUPAC Name15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene
SMILESCc1c(-c2ccccc2)c2c3c(c1-c1ccccc1)-c1cccc[n+]1C31c3c(cccc3-n3ccc[n+]31)O2
InChIInChI=1S/C34H23N3O/c1-22-28(23-12-4-2-5-13-23)30-25-16-8-9-19-35(25)34-31-26(36-20-11-21-37(34)36)17-10-18-27(31)38-33(32(30)34)29(22)24-14-6-3-7-15-24/h2-21H,1H3/q+2
InChIKeyYWRSQSUBTCPVQQ-UHFFFAOYSA-N
XLogP6.39
TPSA21.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene with MolForge

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Related Compounds

14-(2,6-dimethyl-4-phenylphenyl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene
CID 160884362
20-methyl-16-phenyl-19-(4-phenylphenyl)-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13(24),14,16,18(23),19,21-undecaene
CID 158784634
19-oxa-1,13-diaza-7,9-diazoniadecacyclo[18.15.2.18,14.02,7.08,37.09,13.023,36.024,29.030,35.018,38]octatriaconta-2,4,6,9,11,14(38),15,17,20(37),21,23(36),24,26,28,30,32,34-heptadecaene
CID 158851457
3,5-dimethyl-4-(4-phenylphenyl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene
CID 177081139
8-(4-phenylphenyl)-12,18-dioxa-6-aza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7,9,11(26),13(25),14,16,19,21,23-undecaene
CID 157269003
9-(4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
CID 157468309
4-(2,6-dimethyl-3-phenylphenyl)-3,5-dimethyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;10-(2,6-dimethyl-4-phenylphenyl)-9-methyl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;9-(2,6-dimethyl-4-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene;4-methyl-3-(3-phenylphenyl)-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
CID 157281938
18-phenyl-4-(4-phenylphenyl)-12-oxa-6,18-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13,15,17(25),19,21,23-undecaene
CID 159296851
3,5-dimethyl-4-(4-phenylphenyl)-11,24-dioxa-6,18-diaza-2,30-diazonianonacyclo[16.12.2.11,19.02,6.07,31.010,32.012,17.025,30.023,33]tritriaconta-2,4,7(31),8,10(32),12,14,16,19(33),20,22,25,27,29-tetradecaene
CID 157284614
4-(2,6-dimethyl-4-phenylphenyl)-11,24-dioxa-6,18-diaza-2,30-diazonianonacyclo[16.12.2.11,19.02,6.07,31.010,32.012,17.025,30.023,33]tritriaconta-2,4,7(31),8,10(32),12,14,16,19(33),20,22,25,27,29-tetradecaene
CID 158194681
12-(3,5-ditert-butylphenyl)-4-(4-phenylphenyl)-18-oxa-6,12-diaza-2,24-diazoniaheptacyclo[11.11.1.11,7.02,6.017,25.019,24.011,26]hexacosa-2,4,7(26),8,10,13(25),14,16,19,21,23-undecaene
CID 158129021
3,5-dimethyl-20-(3-phenylphenyl)-12-oxa-6,18-diaza-2,22-diazoniaheptacyclo[11.9.1.11,7.02,6.017,23.018,22.011,24]tetracosa-2,4,7(24),8,10,13,15,17(23),19,21-decaene
CID 158129019

Frequently Asked Questions

What is the IUPAC name of 15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene?
The IUPAC name of 15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene (CID 158083057) is 15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene.
What is the SMILES notation for 15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene?
The canonical SMILES for 15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene is Cc1c(-c2ccccc2)c2c3c(c1-c1ccccc1)-c1cccc[n+]1C31c3c(cccc3-n3ccc[n+]31)O2.
What is the InChIKey of 15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene?
The InChIKey is YWRSQSUBTCPVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3O/c1-22-28(23-12-4-2-5-13-23)30-25-16-8-9-19-35(25)34-31-26(36-20-11-21-37(34)36)17-10-18-27(31)38-33(32(30)34)29(22)24-14-6-3-7-15-24/h2-21H,1H3/q+2.
What are the key properties of 15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene?
15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene has a molecular weight of 489.58 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-14,16-diphenyl-12-oxa-6-aza-2,23-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7(25),8,10,13,15,17(24),18,20,22-undecaene is sourced from PubChem (CID 158083057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).