15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene

C32H19NO — CID 139337051

IUPAC15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene
SMILESc1ccc(-c2oc3ccc4c5c3c2-c2ccccc2-c2cccc(c25)n4-c2ccccc2)cc1
InChIInChI=1S/C32H19NO/c1-3-10-20(11-4-1)32-29-24-15-8-7-14-22(24)23-16-9-17-25-28(23)30-26(18-19-27(34-32)31(29)30)33(25)21-12-5-2-6-13-21/h1-19H
InChIKeyMRMAFSLQPJKMGH-UHFFFAOYSA-N
MW433.51 g/mol
LogP8.84
Rot. Bonds2

About 15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene

15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene (PubChem CID 139337051) has the molecular formula C32H19NO and a molecular weight of 433.51 g/mol. Its IUPAC name is 15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene.

Molecular Properties

Compound Name15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene
PubChem CID139337051
Molecular FormulaC32H19NO
Molecular Weight433.51 g/mol
Exact Mass433.15
IUPAC Name15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene
SMILESc1ccc(-c2oc3ccc4c5c3c2-c2ccccc2-c2cccc(c25)n4-c2ccccc2)cc1
InChIInChI=1S/C32H19NO/c1-3-10-20(11-4-1)32-29-24-15-8-7-14-22(24)23-16-9-17-25-28(23)30-26(18-19-27(34-32)31(29)30)33(25)21-12-5-2-6-13-21/h1-19H
InChIKeyMRMAFSLQPJKMGH-UHFFFAOYSA-N
XLogP8.84
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene with MolForge

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Related Compounds

4-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744678
9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole
CID 176744439
23-[3-(10-phenylanthracen-9-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 158340631
26-[4-(2-phenylphenyl)phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 154692426
9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole
CID 176744301
9-phenyl-4-[3-(4-phenylphenyl)-2-benzofuran-1-yl]carbazole
CID 156552674
3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176745675
4,9-di(dibenzofuran-1-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 178110232
4-dibenzofuran-3-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122599853
9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 163594520
23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 146321372
9,14-bis(4-phenylphenyl)-9,14-diazahexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylphenyl)-9,14-diazahexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazahexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 157082810

Frequently Asked Questions

What is the IUPAC name of 15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene?
The IUPAC name of 15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene (CID 139337051) is 15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene.
What is the SMILES notation for 15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene?
The canonical SMILES for 15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene is c1ccc(-c2oc3ccc4c5c3c2-c2ccccc2-c2cccc(c25)n4-c2ccccc2)cc1.
What is the InChIKey of 15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene?
The InChIKey is MRMAFSLQPJKMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NO/c1-3-10-20(11-4-1)32-29-24-15-8-7-14-22(24)23-16-9-17-25-28(23)30-26(18-19-27(34-32)31(29)30)33(25)21-12-5-2-6-13-21/h1-19H.
What are the key properties of 15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene?
15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene has a molecular weight of 433.51 g/mol, XLogP of 8.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,22-diphenyl-16-oxa-22-azahexacyclo[12.6.1.13,20.02,7.08,13.017,21]docosa-1(20),2(7),3,5,8,10,12,14,17(21),18-decaene is sourced from PubChem (CID 139337051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).