19-naphthalen-1-yl-17-(3-phenylphenyl)-11-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.04,12.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3,5,7,9,12,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene

C55H33N3O — CID 155038205

IUPAC19-naphthalen-1-yl-17-(3-phenylphenyl)-11-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.04,12.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3,5,7,9,12,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene
SMILESc1ccc(-c2cccc(-c3nc4c(c(-c5cccc6ccccc56)n3)Cc3ccc5c6cc7ccccc7cc6n(c5c3)-c3cc5c(cc3-4)oc3ccccc35)c2)cc1
InChIInChI=1S/C55H33N3O/c1-2-12-34(13-3-1)36-18-10-19-39(28-36)55-56-53(43-22-11-17-35-14-6-7-20-40(35)43)47-26-33-24-25-41-44-29-37-15-4-5-16-38(37)30-49(44)58(48(41)27-33)50-31-45-42-21-8-9-23-51(42)59-52(45)32-46(50)54(47)57-55/h1-25,27-32H,26H2
InChIKeySZXGCLQTJNTRRH-UHFFFAOYSA-N
MW751.89 g/mol
LogP14.35
Rot. Bonds3

About 19-naphthalen-1-yl-17-(3-phenylphenyl)-11-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.04,12.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3,5,7,9,12,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene

19-naphthalen-1-yl-17-(3-phenylphenyl)-11-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.04,12.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3,5,7,9,12,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene (PubChem CID 155038205) has the molecular formula C55H33N3O and a molecular weight of 751.89 g/mol. Its IUPAC name is 19-naphthalen-1-yl-17-(3-phenylphenyl)-11-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.04,12.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3,5,7,9,12,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene.

Molecular Properties

Compound Name19-naphthalen-1-yl-17-(3-phenylphenyl)-11-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.04,12.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3,5,7,9,12,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene
PubChem CID155038205
Molecular FormulaC55H33N3O
Molecular Weight751.89 g/mol
Exact Mass751.26
IUPAC Name19-naphthalen-1-yl-17-(3-phenylphenyl)-11-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.04,12.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3,5,7,9,12,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene
SMILESc1ccc(-c2cccc(-c3nc4c(c(-c5cccc6ccccc56)n3)Cc3ccc5c6cc7ccccc7cc6n(c5c3)-c3cc5c(cc3-4)oc3ccccc35)c2)cc1
InChIInChI=1S/C55H33N3O/c1-2-12-34(13-3-1)36-18-10-19-39(28-36)55-56-53(43-22-11-17-35-14-6-7-20-40(35)43)47-26-33-24-25-41-44-29-37-15-4-5-16-38(37)30-49(44)58(48(41)27-33)50-31-45-42-21-8-9-23-51(42)59-52(45)32-46(50)54(47)57-55/h1-25,27-32H,26H2
InChIKeySZXGCLQTJNTRRH-UHFFFAOYSA-N
XLogP14.35
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.89
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 19-naphthalen-1-yl-17-(3-phenylphenyl)-11-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.04,12.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3,5,7,9,12,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene with MolForge

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Related Compounds

12-[3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 163792015
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497
5-[3-(4-naphthalen-1-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 155037672
5-[3-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166700154
12-[3-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166700220
5-[2-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347487
12-[4-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155450612
7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 164955673
5-[2-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166699692
2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 174312040
12-[3-[4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166699684
5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
CID 167043514

Frequently Asked Questions

What is the IUPAC name of 19-naphthalen-1-yl-17-(3-phenylphenyl)-11-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.04,12.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3,5,7,9,12,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene?
The IUPAC name of 19-naphthalen-1-yl-17-(3-phenylphenyl)-11-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.04,12.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3,5,7,9,12,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene (CID 155038205) is 19-naphthalen-1-yl-17-(3-phenylphenyl)-11-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.04,12.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3,5,7,9,12,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene.
What is the SMILES notation for 19-naphthalen-1-yl-17-(3-phenylphenyl)-11-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.04,12.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3,5,7,9,12,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene?
The canonical SMILES for 19-naphthalen-1-yl-17-(3-phenylphenyl)-11-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.04,12.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3,5,7,9,12,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene is c1ccc(-c2cccc(-c3nc4c(c(-c5cccc6ccccc56)n3)Cc3ccc5c6cc7ccccc7cc6n(c5c3)-c3cc5c(cc3-4)oc3ccccc35)c2)cc1.
What is the InChIKey of 19-naphthalen-1-yl-17-(3-phenylphenyl)-11-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.04,12.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3,5,7,9,12,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene?
The InChIKey is SZXGCLQTJNTRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O/c1-2-12-34(13-3-1)36-18-10-19-39(28-36)55-56-53(43-22-11-17-35-14-6-7-20-40(35)43)47-26-33-24-25-41-44-29-37-15-4-5-16-38(37)30-49(44)58(48(41)27-33)50-31-45-42-21-8-9-23-51(42)59-52(45)32-46(50)54(47)57-55/h1-25,27-32H,26H2.
What are the key properties of 19-naphthalen-1-yl-17-(3-phenylphenyl)-11-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.04,12.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3,5,7,9,12,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene?
19-naphthalen-1-yl-17-(3-phenylphenyl)-11-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.04,12.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3,5,7,9,12,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene has a molecular weight of 751.89 g/mol, XLogP of 14.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 19-naphthalen-1-yl-17-(3-phenylphenyl)-11-oxa-1,16,18-triazanonacyclo[20.13.2.02,14.04,12.05,10.015,20.025,36.026,35.028,33]heptatriaconta-2(14),3,5,7,9,12,15,17,19,22(37),23,25(36),26,28,30,32,34-heptadecaene is sourced from PubChem (CID 155038205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).