6,6-dimethyl-3,9-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene

C121H81N3O3 — CID 158992279

IUPAC6,6-dimethyl-3,9-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2c1cc(-c1ccccc1)c1c2Oc2cc(-c3ccccc3)cc3c4ccccc4n-1c23.CC1(C)c2cc(-c3ccccc3)ccc2-c2c1cc(-c1ccccc1)c1c2Oc2cccc3c4ccccc4n-1c23.c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2c3Oc3cccc4c5ccccc5n-2c34)cc1
InChIInChI=1S/C45H31NO.C39H27NO.C37H23NO/c1-45(2)37-25-31(28-14-6-3-7-15-28)22-23-34(37)41-38(45)27-35(30-18-10-5-11-19-30)43-44(41)47-40-26-32(29-16-8-4-9-17-29)24-36-33-20-12-13-21-39(33)46(43)42(36)40;1-39(2)31-22-26(24-12-5-3-6-13-24)20-21-29(31)35-32(39)23-30(25-14-7-4-8-15-25)37-38(35)41-34-19-11-17-28-27-16-9-10-18-33(27)40(37)36(28)34;1-3-12-24(13-4-1)37(25-14-5-2-6-15-25)29-19-9-7-17-28(29)34-30(37)22-23-32-36(34)39-33-21-11-18-27-26-16-8-10-20-31(26)38(32)35(27)33/h3-27H,1-2H3;3-23H,1-2H3;1-23H
InChIKeyJQHQOAWRMZIDNH-UHFFFAOYSA-N
MW1625.00 g/mol
LogP31.98
Rot. Bonds7

About 6,6-dimethyl-3,9-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene

6,6-dimethyl-3,9-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene (PubChem CID 158992279) has the molecular formula C121H81N3O3 and a molecular weight of 1625.00 g/mol. Its IUPAC name is 6,6-dimethyl-3,9-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene.

Molecular Properties

Compound Name6,6-dimethyl-3,9-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene
PubChem CID158992279
Molecular FormulaC121H81N3O3
Molecular Weight1625.00 g/mol
Exact Mass1623.63
IUPAC Name6,6-dimethyl-3,9-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2c1cc(-c1ccccc1)c1c2Oc2cc(-c3ccccc3)cc3c4ccccc4n-1c23.CC1(C)c2cc(-c3ccccc3)ccc2-c2c1cc(-c1ccccc1)c1c2Oc2cccc3c4ccccc4n-1c23.c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2c3Oc3cccc4c5ccccc5n-2c34)cc1
InChIInChI=1S/C45H31NO.C39H27NO.C37H23NO/c1-45(2)37-25-31(28-14-6-3-7-15-28)22-23-34(37)41-38(45)27-35(30-18-10-5-11-19-30)43-44(41)47-40-26-32(29-16-8-4-9-17-29)24-36-33-20-12-13-21-39(33)46(43)42(36)40;1-39(2)31-22-26(24-12-5-3-6-13-24)20-21-29(31)35-32(39)23-30(25-14-7-4-8-15-25)37-38(35)41-34-19-11-17-28-27-16-9-10-18-33(27)40(37)36(28)34;1-3-12-24(13-4-1)37(25-14-5-2-6-15-25)29-19-9-7-17-28(29)34-30(37)22-23-32-36(34)39-33-21-11-18-27-26-16-8-10-20-31(26)38(32)35(27)33/h3-27H,1-2H3;3-23H,1-2H3;1-23H
InChIKeyJQHQOAWRMZIDNH-UHFFFAOYSA-N
XLogP31.98
TPSA42.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001625.00
LogP ≤ 531.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,6-dimethyl-3,9-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene with MolForge

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Related Compounds

6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene
CID 118668302
6,6-dimethyl-9,15-diphenyl-1-aza-15-phosphaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,15,18-tetraphenyl-1-aza-15-phosphaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,15-triphenyl-1-aza-15-phosphaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;5,6,8,8,13-pentakis-phenyl-3-(9-phenylcarbazol-3-yl)indeno[1,2-a]phenophosphazinine
CID 159789537
5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine
CID 118668301
7,7-diphenyl-12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-a]carbazole
CID 121343577
2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
CID 155153866
9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138574944
N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548866
9,9-diphenyl-N-(3-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine
CID 135168653
N-naphthalen-1-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 158471636
N-[4-[3-[9-(9,9-diphenylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
CID 118462558
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
9,9-diphenyl-N-(4-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine
CID 135168644

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3,9-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene?
The IUPAC name of 6,6-dimethyl-3,9-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene (CID 158992279) is 6,6-dimethyl-3,9-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene.
What is the SMILES notation for 6,6-dimethyl-3,9-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene?
The canonical SMILES for 6,6-dimethyl-3,9-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene is CC1(C)c2cc(-c3ccccc3)ccc2-c2c1cc(-c1ccccc1)c1c2Oc2cc(-c3ccccc3)cc3c4ccccc4n-1c23.CC1(C)c2cc(-c3ccccc3)ccc2-c2c1cc(-c1ccccc1)c1c2Oc2cccc3c4ccccc4n-1c23.c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2c3Oc3cccc4c5ccccc5n-2c34)cc1.
What is the InChIKey of 6,6-dimethyl-3,9-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene?
The InChIKey is JQHQOAWRMZIDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31NO.C39H27NO.C37H23NO/c1-45(2)37-25-31(28-14-6-3-7-15-28)22-23-34(37)41-38(45)27-35(30-18-10-5-11-19-30)43-44(41)47-40-26-32(29-16-8-4-9-17-29)24-36-33-20-12-13-21-39(33)46(43)42(36)40;1-39(2)31-22-26(24-12-5-3-6-13-24)20-21-29(31)35-32(39)23-30(25-14-7-4-8-15-25)37-38(35)41-34-19-11-17-28-27-16-9-10-18-33(27)40(37)36(28)34;1-3-12-24(13-4-1)37(25-14-5-2-6-15-25)29-19-9-7-17-28(29)34-30(37)22-23-32-36(34)39-33-21-11-18-27-26-16-8-10-20-31(26)38(32)35(27)33/h3-27H,1-2H3;3-23H,1-2H3;1-23H.
What are the key properties of 6,6-dimethyl-3,9-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene?
6,6-dimethyl-3,9-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene has a molecular weight of 1625.00 g/mol, XLogP of 31.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3,9-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-dimethyl-3,9,18-triphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7(12),8,10,16,18,20(27),21,23,25-dodecaene;6,6-diphenyl-15-oxa-1-azaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene is sourced from PubChem (CID 158992279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).