15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene

C57H37NO2 — CID 142380767

IUPAC15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc2oc4ccccc4c2cc1n3-c1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C57H37NO2/c1-57(2)49-23-9-6-18-41(49)45-31-51-46(30-50(45)57)47-33-55-48(43-20-8-10-24-53(43)59-55)32-52(47)58(51)39-28-37(36-17-12-16-35(26-36)34-14-4-3-5-15-34)27-38(29-39)40-21-13-22-44-42-19-7-11-25-54(42)60-56(40)44/h3-33H,1-2H3
InChIKeyOLFXMFCAWPQDMW-UHFFFAOYSA-N
MW767.93 g/mol
LogP15.89
Rot. Bonds4

About 15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene

15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene (PubChem CID 142380767) has the molecular formula C57H37NO2 and a molecular weight of 767.93 g/mol. Its IUPAC name is 15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene.

Molecular Properties

Compound Name15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
PubChem CID142380767
Molecular FormulaC57H37NO2
Molecular Weight767.93 g/mol
Exact Mass767.28
IUPAC Name15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc2oc4ccccc4c2cc1n3-c1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C57H37NO2/c1-57(2)49-23-9-6-18-41(49)45-31-51-46(30-50(45)57)47-33-55-48(43-20-8-10-24-53(43)59-55)32-52(47)58(51)39-28-37(36-17-12-16-35(26-36)34-14-4-3-5-15-34)27-38(29-39)40-21-13-22-44-42-19-7-11-25-54(42)60-56(40)44/h3-33H,1-2H3
InChIKeyOLFXMFCAWPQDMW-UHFFFAOYSA-N
XLogP15.89
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.93
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene with MolForge

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Related Compounds

5-[3-dibenzofuran-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
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8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
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5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
12-[3-[3-[5-(3-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 123161041
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
CID 121449411
9-dibenzofuran-4-yl-11,11-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 130209419
10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223734
8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223761
7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran
CID 158538604
4-[3-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]dibenzofuran
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10-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
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4-[3-[4-(10,10-dimethyl-16-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)phenyl]phenyl]dibenzofuran
CID 118360081

Frequently Asked Questions

What is the IUPAC name of 15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene?
The IUPAC name of 15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene (CID 142380767) is 15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene.
What is the SMILES notation for 15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene?
The canonical SMILES for 15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene is CC1(C)c2ccccc2-c2cc3c(cc21)c1cc2oc4ccccc4c2cc1n3-c1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene?
The InChIKey is OLFXMFCAWPQDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO2/c1-57(2)49-23-9-6-18-41(49)45-31-51-46(30-50(45)57)47-33-55-48(43-20-8-10-24-53(43)59-55)32-52(47)58(51)39-28-37(36-17-12-16-35(26-36)34-14-4-3-5-15-34)27-38(29-39)40-21-13-22-44-42-19-7-11-25-54(42)60-56(40)44/h3-33H,1-2H3.
What are the key properties of 15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene?
15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene has a molecular weight of 767.93 g/mol, XLogP of 15.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-25,25-dimethyl-5-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene is sourced from PubChem (CID 142380767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).