6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene

C44H26N2O — CID 138736937

IUPAC6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene
SMILESc1ccc(-n2c3ccc4ccccc4c3c3c4oc5c(ccc6c5c5c7ccccc7ccc5n6-c5ccccc5)c4ccc32)cc1
InChIInChI=1S/C44H26N2O/c1-3-13-29(14-4-1)45-35-23-19-27-11-7-9-17-31(27)39(35)41-37(45)25-21-33-34-22-26-38-42(44(34)47-43(33)41)40-32-18-10-8-12-28(32)20-24-36(40)46(38)30-15-5-2-6-16-30/h1-26H
InChIKeyRBUOHYBKSXUVPR-UHFFFAOYSA-N
MW598.71 g/mol
LogP12.09
Rot. Bonds2

About 6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene

6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene (PubChem CID 138736937) has the molecular formula C44H26N2O and a molecular weight of 598.71 g/mol. Its IUPAC name is 6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene.

Molecular Properties

Compound Name6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene
PubChem CID138736937
Molecular FormulaC44H26N2O
Molecular Weight598.71 g/mol
Exact Mass598.20
IUPAC Name6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene
SMILESc1ccc(-n2c3ccc4ccccc4c3c3c4oc5c(ccc6c5c5c7ccccc7ccc5n6-c5ccccc5)c4ccc32)cc1
InChIInChI=1S/C44H26N2O/c1-3-13-29(14-4-1)45-35-23-19-27-11-7-9-17-31(27)39(35)41-37(45)25-21-33-34-22-26-38-42(44(34)47-43(33)41)40-32-18-10-8-12-28(32)20-24-36(40)46(38)30-15-5-2-6-16-30/h1-26H
InChIKeyRBUOHYBKSXUVPR-UHFFFAOYSA-N
XLogP12.09
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene with MolForge

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Related Compounds

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6-phenyl-24-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
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9-[4-(2-phenylbenzimidazol-1-yl)phenyl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 90324797
9-phenyl-21-oxa-9-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-20-one
CID 118248294
9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
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7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
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CID 121246518
12-[4-(11-phenylbenzo[a]carbazol-8-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 131999005
9-(4-phenanthren-9-ylphenyl)-12-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
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Frequently Asked Questions

What is the IUPAC name of 6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene?
The IUPAC name of 6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene (CID 138736937) is 6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene.
What is the SMILES notation for 6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene?
The canonical SMILES for 6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene is c1ccc(-n2c3ccc4ccccc4c3c3c4oc5c(ccc6c5c5c7ccccc7ccc5n6-c5ccccc5)c4ccc32)cc1.
What is the InChIKey of 6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene?
The InChIKey is RBUOHYBKSXUVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2O/c1-3-13-29(14-4-1)45-35-23-19-27-11-7-9-17-31(27)39(35)41-37(45)25-21-33-34-22-26-38-42(44(34)47-43(33)41)40-32-18-10-8-12-28(32)20-24-36(40)46(38)30-15-5-2-6-16-30/h1-26H.
What are the key properties of 6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene?
6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene has a molecular weight of 598.71 g/mol, XLogP of 12.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene is sourced from PubChem (CID 138736937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).