10-methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene

C31H18N2O — CID 129276913

IUPAC10-methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene
SMILESCc1ccc2c3ccc4oc5ccc6c7ccccc7n7c8ccccc8n(c2c1)c3c4c5c67
InChIInChI=1S/C31H18N2O/c1-17-10-11-19-21-13-15-27-29-28-26(34-27)14-12-20-18-6-2-3-7-22(18)32(30(20)28)23-8-4-5-9-24(23)33(31(21)29)25(19)16-17/h2-16H,1H3
InChIKeyIGYYBNTUZLHOOK-UHFFFAOYSA-N
MW434.50 g/mol
LogP8.45
Rot. Bonds

About 10-methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene

10-methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene (PubChem CID 129276913) has the molecular formula C31H18N2O and a molecular weight of 434.50 g/mol. Its IUPAC name is 10-methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene.

Molecular Properties

Compound Name10-methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene
PubChem CID129276913
Molecular FormulaC31H18N2O
Molecular Weight434.50 g/mol
Exact Mass434.14
IUPAC Name10-methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene
SMILESCc1ccc2c3ccc4oc5ccc6c7ccccc7n7c8ccccc8n(c2c1)c3c4c5c67
InChIInChI=1S/C31H18N2O/c1-17-10-11-19-21-13-15-27-29-28-26(34-27)14-12-20-18-6-2-3-7-22(18)32(30(20)28)23-8-4-5-9-24(23)33(31(21)29)25(19)16-17/h2-16H,1H3
InChIKeyIGYYBNTUZLHOOK-UHFFFAOYSA-N
XLogP8.45
TPSA21.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene with MolForge

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Related Compounds

3-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile
CID 129291104
3-(9-Fluoro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(6-fluoro-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile
CID 129291269
2,8-Di(9H-carbazol-9-yl)dibenzo[b,d]furan
CID 59348257
N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine
CID 129085125
9-Phenyl-2-[2-(9-phenylcarbazol-2-yl)dibenzofuran-4-yl]carbazole
CID 129127331
19-(3,5-Diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 129141836
12-[3-(3-Dibenzofuran-3-ylquinoxalin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149814
2-N,7-N-bis(4-ethenylphenyl)-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-2,7-diamine
CID 129194522
4-[3-(9-Dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole
CID 129225640
10-(4,6-Diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-16,31-dioxa-13,19-diazanonacyclo[17.10.1.12,6.13,29.07,12.014,18.020,25.026,30.013,32]dotriaconta-1(29),2,4,6(32),7(12),8,10,17,21,23,26(30),27-dodecaene
CID 129276659
5-[4-([1]Benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile
CID 129290845
5-[4-([1]Benzofuro[3,2-b]carbazol-11-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129290870

Frequently Asked Questions

What is the IUPAC name of 10-methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene?
The IUPAC name of 10-methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene (CID 129276913) is 10-methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene.
What is the SMILES notation for 10-methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene?
The canonical SMILES for 10-methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene is Cc1ccc2c3ccc4oc5ccc6c7ccccc7n7c8ccccc8n(c2c1)c3c4c5c67.
What is the InChIKey of 10-methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene?
The InChIKey is IGYYBNTUZLHOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N2O/c1-17-10-11-19-21-13-15-27-29-28-26(34-27)14-12-20-18-6-2-3-7-22(18)32(30(20)28)23-8-4-5-9-24(23)33(31(21)29)25(19)16-17/h2-16H,1H3.
What are the key properties of 10-methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene?
10-methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene has a molecular weight of 434.50 g/mol, XLogP of 8.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-32-oxa-13,20-diazanonacyclo[18.10.1.12,6.13,30.07,12.014,19.021,26.027,31.013,33]tritriaconta-1(30),2,4,6(33),7(12),8,10,14,16,18,21,23,25,27(31),28-pentadecaene is sourced from PubChem (CID 129276913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).