5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene

C51H30N2O — CID 129128173

IUPAC5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7c8ccccc8c8nc9ccccc9n8c7c6c5)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/C51H30N2O/c1-2-12-34-29-36(26-23-31(34)11-1)48-39-15-5-3-13-37(39)47(38-14-4-6-16-40(38)48)33-24-21-32(22-25-33)35-27-28-46-43(30-35)49-50(54-46)41-17-7-8-18-42(41)51-52-44-19-9-10-20-45(44)53(49)51/h1-30H
InChIKeyVFYXEXPNPGANIW-UHFFFAOYSA-N
MW686.81 g/mol
LogP14.00
Rot. Bonds3

About 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene

5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene (PubChem CID 129128173) has the molecular formula C51H30N2O and a molecular weight of 686.81 g/mol. Its IUPAC name is 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene.

Molecular Properties

Compound Name5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
PubChem CID129128173
Molecular FormulaC51H30N2O
Molecular Weight686.81 g/mol
Exact Mass686.24
IUPAC Name5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7c8ccccc8c8nc9ccccc9n8c7c6c5)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/C51H30N2O/c1-2-12-34-29-36(26-23-31(34)11-1)48-39-15-5-3-13-37(39)47(38-14-4-6-16-40(38)48)33-24-21-32(22-25-33)35-27-28-46-43(30-35)49-50(54-46)41-17-7-8-18-42(41)51-52-44-19-9-10-20-45(44)53(49)51/h1-30H
InChIKeyVFYXEXPNPGANIW-UHFFFAOYSA-N
XLogP14.00
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.81
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene with MolForge

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Related Compounds

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 140939656
5-(4-pyridin-3-ylphenyl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129127949
5-[4-[3-phenyl-4-(2-phenylphenyl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128241
7-(9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaen-5-yl)phenanthrene-2-carbonitrile
CID 129128035
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128031
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128279
10-[6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58037984
5-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 58037629
9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 129128192
6-(21-oxa-2,9-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11(16),12,14,18,20(28),22,24,26-tridecaen-14-yl)-27-oxa-2,9-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3(8),4,6,9,11,13,15,18,20(28),21,23,25-tridecaene
CID 146513016
5-(4-dibenzothiophen-4-ylphenyl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 129128243
5-(4-dibenzofuran-2-ylphenyl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-(6-phenylnaphthalen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-triphenylen-2-yl-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 158910295

Frequently Asked Questions

What is the IUPAC name of 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
The IUPAC name of 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene (CID 129128173) is 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene.
What is the SMILES notation for 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
The canonical SMILES for 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7c8ccccc8c8nc9ccccc9n8c7c6c5)cc4)c4ccccc34)ccc2c1.
What is the InChIKey of 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
The InChIKey is VFYXEXPNPGANIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N2O/c1-2-12-34-29-36(26-23-31(34)11-1)48-39-15-5-3-13-37(39)47(38-14-4-6-16-40(38)48)33-24-21-32(22-25-33)35-27-28-46-43(30-35)49-50(54-46)41-17-7-8-18-42(41)51-52-44-19-9-10-20-45(44)53(49)51/h1-30H.
What are the key properties of 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene?
5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene has a molecular weight of 686.81 g/mol, XLogP of 14.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene is sourced from PubChem (CID 129128173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).