15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[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

C36H21NO2 — CID 174350700

IUPAC15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[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
SMILESc1ccc(-c2ccc(-n3c4c(ccc5c6ccccc6oc54)c4ccc5c6ccccc6oc5c43)cc2)cc1
InChIInChI=1S/C36H21NO2/c1-2-8-22(9-3-1)23-14-16-24(17-15-23)37-33-27(18-20-29-25-10-4-6-12-31(25)38-35(29)33)28-19-21-30-26-11-5-7-13-32(26)39-36(30)34(28)37/h1-21H
InChIKeyVWOUVGZRZXSJGI-UHFFFAOYSA-N
MW499.57 g/mol
LogP10.25
Rot. Bonds2

About 15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[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

15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[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 (PubChem CID 174350700) has the molecular formula C36H21NO2 and a molecular weight of 499.57 g/mol. Its IUPAC name is 15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[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.

Molecular Properties

Compound Name15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[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
PubChem CID174350700
Molecular FormulaC36H21NO2
Molecular Weight499.57 g/mol
Exact Mass499.16
IUPAC Name15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[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
SMILESc1ccc(-c2ccc(-n3c4c(ccc5c6ccccc6oc54)c4ccc5c6ccccc6oc5c43)cc2)cc1
InChIInChI=1S/C36H21NO2/c1-2-8-22(9-3-1)23-14-16-24(17-15-23)37-33-27(18-20-29-25-10-4-6-12-31(25)38-35(29)33)28-19-21-30-26-11-5-7-13-32(26)39-36(30)34(28)37/h1-21H
InChIKeyVWOUVGZRZXSJGI-UHFFFAOYSA-N
XLogP10.25
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[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 with MolForge

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Related Compounds

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12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole
CID 166832183
N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
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12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126580353
19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene
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CID 166509852
11-phenyl-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
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12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole
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15,24-diphenyl-12-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
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Frequently Asked Questions

What is the IUPAC name of 15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[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?
The IUPAC name of 15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[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 174350700) is 15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[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.
What is the SMILES notation for 15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[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?
The canonical SMILES for 15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[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 is c1ccc(-c2ccc(-n3c4c(ccc5c6ccccc6oc54)c4ccc5c6ccccc6oc5c43)cc2)cc1.
What is the InChIKey of 15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[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?
The InChIKey is VWOUVGZRZXSJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NO2/c1-2-8-22(9-3-1)23-14-16-24(17-15-23)37-33-27(18-20-29-25-10-4-6-12-31(25)38-35(29)33)28-19-21-30-26-11-5-7-13-32(26)39-36(30)34(28)37/h1-21H.
What are the key properties of 15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[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?
15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[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 has a molecular weight of 499.57 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-phenylphenyl)-12,18-dioxa-15-azaheptacyclo[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 is sourced from PubChem (CID 174350700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).