32-methyl-25-phenyl-9-oxa-17,25,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene

C35H21N3O — CID 174282559

IUPAC32-methyl-25-phenyl-9-oxa-17,25,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene
SMILESCn1c2cccc3c4oc5ccccc5c4n4c5c(ccc1c5c32)c1c4c2ccccc2n1-c1ccccc1
InChIInChI=1S/C35H21N3O/c1-36-26-16-9-14-23-29(26)30-27(36)19-18-24-31(30)38(34-22-13-6-8-17-28(22)39-35(23)34)32-21-12-5-7-15-25(21)37(33(24)32)20-10-3-2-4-11-20/h2-19H,1H3
InChIKeyRRMNQJUYTCHEAZ-UHFFFAOYSA-N
MW499.57 g/mol
LogP9.17
Rot. Bonds1

About 32-methyl-25-phenyl-9-oxa-17,25,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene

32-methyl-25-phenyl-9-oxa-17,25,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene (PubChem CID 174282559) has the molecular formula C35H21N3O and a molecular weight of 499.57 g/mol. Its IUPAC name is 32-methyl-25-phenyl-9-oxa-17,25,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene.

Molecular Properties

Compound Name32-methyl-25-phenyl-9-oxa-17,25,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene
PubChem CID174282559
Molecular FormulaC35H21N3O
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Name32-methyl-25-phenyl-9-oxa-17,25,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene
SMILESCn1c2cccc3c4oc5ccccc5c4n4c5c(ccc1c5c32)c1c4c2ccccc2n1-c1ccccc1
InChIInChI=1S/C35H21N3O/c1-36-26-16-9-14-23-29(26)30-27(36)19-18-24-31(30)38(34-22-13-6-8-17-28(22)39-35(23)34)32-21-12-5-7-15-25(21)37(33(24)32)20-10-3-2-4-11-20/h2-19H,1H3
InChIKeyRRMNQJUYTCHEAZ-UHFFFAOYSA-N
XLogP9.17
TPSA27.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 32-methyl-25-phenyl-9-oxa-17,25,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene with MolForge

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Related Compounds

29-methyl-9-phenyl-1,9,29-triazaoctacyclo[13.12.1.114,17.02,10.03,8.011,28.016,21.022,27]nonacosa-2(10),3,5,7,11(28),12,14,16(21),17,19,22,24,26-tridecaene
CID 174282373
28-methyl-9-phenyl-23-thia-1,9,28-triazaoctacyclo[13.11.1.114,17.02,10.03,8.011,27.016,21.022,26]octacosa-2(10),3,5,7,11(27),12,14,16(21),17,19,22(26),24-dodecaene
CID 174285356
25,25,32-trimethyl-9-phenyl-9,17,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene
CID 174282576
29-methyl-9-oxa-1,29-diazaoctacyclo[13.12.1.120,23.02,10.03,8.011,28.016,21.022,27]nonacosa-2(10),3,5,7,11,13,15(28),16(21),17,19,22,24,26-tridecaene
CID 163436695
15-methyl-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 148942813
12-dibenzofuran-4-yl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121369237
3-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223675
9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 138568922
9-dibenzofuran-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828494
15-methyl-10-phenyl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
CID 145268618
33-methyl-4-phenyl-1,4,33-triazanonacyclo[19.10.1.113,16.02,14.03,11.05,10.015,20.025,32.026,31]tritriaconta-2,5,7,9,11,13,15(20),16,18,21,23,25(32),26,28,30-pentadecaene
CID 158454109
9-dibenzofuran-2-yl-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzofuran-3-yl-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;18-methyl-21-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;21-methyl-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 161423054

Frequently Asked Questions

What is the IUPAC name of 32-methyl-25-phenyl-9-oxa-17,25,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene?
The IUPAC name of 32-methyl-25-phenyl-9-oxa-17,25,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene (CID 174282559) is 32-methyl-25-phenyl-9-oxa-17,25,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene.
What is the SMILES notation for 32-methyl-25-phenyl-9-oxa-17,25,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene?
The canonical SMILES for 32-methyl-25-phenyl-9-oxa-17,25,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene is Cn1c2cccc3c4oc5ccccc5c4n4c5c(ccc1c5c32)c1c4c2ccccc2n1-c1ccccc1.
What is the InChIKey of 32-methyl-25-phenyl-9-oxa-17,25,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene?
The InChIKey is RRMNQJUYTCHEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3O/c1-36-26-16-9-14-23-29(26)30-27(36)19-18-24-31(30)38(34-22-13-6-8-17-28(22)39-35(23)34)32-21-12-5-7-15-25(21)37(33(24)32)20-10-3-2-4-11-20/h2-19H,1H3.
What are the key properties of 32-methyl-25-phenyl-9-oxa-17,25,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene?
32-methyl-25-phenyl-9-oxa-17,25,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene has a molecular weight of 499.57 g/mol, XLogP of 9.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 32-methyl-25-phenyl-9-oxa-17,25,32-triazanonacyclo[15.13.1.13,30.02,7.08,16.010,15.018,26.019,24.027,31]dotriaconta-1(30),2(7),3,5,8(16),10,12,14,18(26),19,21,23,27(31),28-tetradecaene is sourced from PubChem (CID 174282559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).