19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene

C57H36N2O2 — CID 147587189

IUPAC19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
SMILESCC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc6oc7cccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)c7c6c4)c3cc21)oc1ccccc15
InChIInChI=1S/C57H36N2O2/c1-57(2)46-19-9-6-15-37(46)40-29-42-43-30-44-39-17-8-11-21-52(39)61-55(44)32-51(43)59(50(42)31-47(40)57)35-24-26-53-45(28-35)56-36(18-12-22-54(56)60-53)33-23-25-49-41(27-33)38-16-7-10-20-48(38)58(49)34-13-4-3-5-14-34/h3-32H,1-2H3
InChIKeyFXOPYGDUDPSKKJ-UHFFFAOYSA-N
MW780.93 g/mol
LogP15.65
Rot. Bonds3

About 19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene

19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene (PubChem CID 147587189) has the molecular formula C57H36N2O2 and a molecular weight of 780.93 g/mol. Its IUPAC name is 19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene.

Molecular Properties

Compound Name19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
PubChem CID147587189
Molecular FormulaC57H36N2O2
Molecular Weight780.93 g/mol
Exact Mass780.28
IUPAC Name19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
SMILESCC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc6oc7cccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)c7c6c4)c3cc21)oc1ccccc15
InChIInChI=1S/C57H36N2O2/c1-57(2)46-19-9-6-15-37(46)40-29-42-43-30-44-39-17-8-11-21-52(39)61-55(44)32-51(43)59(50(42)31-47(40)57)35-24-26-53-45(28-35)56-36(18-12-22-54(56)60-53)33-23-25-49-41(27-33)38-16-7-10-20-48(38)58(49)34-13-4-3-5-14-34/h3-32H,1-2H3
InChIKeyFXOPYGDUDPSKKJ-UHFFFAOYSA-N
XLogP15.65
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.93
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene with MolForge

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Related Compounds

7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087
7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole;5,7-diphenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
CID 163758955
2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 134516211
2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
10-(8-carbazol-9-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134516179
10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223734
10-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223345
2-(4-dibenzofuran-2-ylphenyl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-1-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 159534848
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-5-phenyl-2-[9-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134516497
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223723

Frequently Asked Questions

What is the IUPAC name of 19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene?
The IUPAC name of 19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene (CID 147587189) is 19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene.
What is the SMILES notation for 19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene?
The canonical SMILES for 19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene is CC1(C)c2ccccc2-c2cc3c4cc5c(cc4n(-c4ccc6oc7cccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)c7c6c4)c3cc21)oc1ccccc15.
What is the InChIKey of 19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene?
The InChIKey is FXOPYGDUDPSKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2O2/c1-57(2)46-19-9-6-15-37(46)40-29-42-43-30-44-39-17-8-11-21-52(39)61-55(44)32-51(43)59(50(42)31-47(40)57)35-24-26-53-45(28-35)56-36(18-12-22-54(56)60-53)33-23-25-49-41(27-33)38-16-7-10-20-48(38)58(49)34-13-4-3-5-14-34/h3-32H,1-2H3.
What are the key properties of 19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene?
19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene has a molecular weight of 780.93 g/mol, XLogP of 15.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 19,19-dimethyl-15-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-11-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene is sourced from PubChem (CID 147587189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).