13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene

C48H28N2O2 — CID 155282102

IUPAC13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene
SMILESc1ccc(-n2c3oc4c(c5ccc6ccccc6c5n4-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C48H28N2O2/c1-2-14-33(15-3-1)49-45-35-17-6-4-11-29(35)21-24-38(45)43-44-39-25-22-30-12-5-7-18-36(30)46(39)50(48(44)52-47(43)49)34-16-10-13-31(27-34)32-23-26-42-40(28-32)37-19-8-9-20-41(37)51-42/h1-28H
InChIKeyBTNGDMKWHIKRGE-UHFFFAOYSA-N
MW664.76 g/mol
LogP13.35
Rot. Bonds3

About 13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene

13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene (PubChem CID 155282102) has the molecular formula C48H28N2O2 and a molecular weight of 664.76 g/mol. Its IUPAC name is 13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene.

Molecular Properties

Compound Name13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene
PubChem CID155282102
Molecular FormulaC48H28N2O2
Molecular Weight664.76 g/mol
Exact Mass664.22
IUPAC Name13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene
SMILESc1ccc(-n2c3oc4c(c5ccc6ccccc6c5n4-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C48H28N2O2/c1-2-14-33(15-3-1)49-45-35-17-6-4-11-29(35)21-24-38(45)43-44-39-25-22-30-12-5-7-18-36(30)46(39)50(48(44)52-47(43)49)34-16-10-13-31(27-34)32-23-26-42-40(28-32)37-19-8-9-20-41(37)51-42/h1-28H
InChIKeyBTNGDMKWHIKRGE-UHFFFAOYSA-N
XLogP13.35
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.76
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene with MolForge

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Related Compounds

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N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
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CID 168782026
2-[3-(12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-6-phenylxanthen-9-one
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9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-2,6-diphenylcarbazole
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N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168781443
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
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Frequently Asked Questions

What is the IUPAC name of 13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene?
The IUPAC name of 13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene (CID 155282102) is 13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene.
What is the SMILES notation for 13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene?
The canonical SMILES for 13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene is c1ccc(-n2c3oc4c(c5ccc6ccccc6c5n4-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene?
The InChIKey is BTNGDMKWHIKRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2/c1-2-14-33(15-3-1)49-45-35-17-6-4-11-29(35)21-24-38(45)43-44-39-25-22-30-12-5-7-18-36(30)46(39)50(48(44)52-47(43)49)34-16-10-13-31(27-34)32-23-26-42-40(28-32)37-19-8-9-20-41(37)51-42/h1-28H.
What are the key properties of 13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene?
13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene has a molecular weight of 664.76 g/mol, XLogP of 13.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene is sourced from PubChem (CID 155282102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).