2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole

C78H58F6N2O2 — CID 90213676

IUPAC2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole
SMILESFC(F)(F)c1ccc2cc3c(cc2c1)c1cc(C24CC5CC(CC(C5)C2)C4)ccc1n3-c1ccc2c(c1)oc1ccc(-c3ccc4oc5cc(-n6c7ccc(C89CC%10CC(CC(C%10)C8)C9)cc7c7cc8cc(C(F)(F)F)ccc8cc76)ccc5c4c3)cc12
InChIInChI=1S/C78H58F6N2O2/c79-77(80,81)55-5-1-49-29-69-61(27-51(49)23-55)63-31-53(75-35-41-17-42(36-75)19-43(18-41)37-75)7-13-67(63)85(69)57-9-11-59-65-25-47(3-15-71(65)87-73(59)33-57)48-4-16-72-66(26-48)60-12-10-58(34-74(60)88-72)86-68-14-8-54(76-38-44-20-45(39-76)22-46(21-44)40-76)32-64(68)62-28-52-24-56(78(82,83)84)6-2-50(52)30-70(62)86/h1-16,23-34,41-46H,17-22,35-40H2
InChIKeyHEQRFOLVUVJTAW-UHFFFAOYSA-N
MW1169.32 g/mol
LogP22.63
Rot. Bonds5

About 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole

2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole (PubChem CID 90213676) has the molecular formula C78H58F6N2O2 and a molecular weight of 1169.32 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole.

Molecular Properties

Compound Name2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole
PubChem CID90213676
Molecular FormulaC78H58F6N2O2
Molecular Weight1169.32 g/mol
Exact Mass1168.44
IUPAC Name2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole
SMILESFC(F)(F)c1ccc2cc3c(cc2c1)c1cc(C24CC5CC(CC(C5)C2)C4)ccc1n3-c1ccc2c(c1)oc1ccc(-c3ccc4oc5cc(-n6c7ccc(C89CC%10CC(CC(C%10)C8)C9)cc7c7cc8cc(C(F)(F)F)ccc8cc76)ccc5c4c3)cc12
InChIInChI=1S/C78H58F6N2O2/c79-77(80,81)55-5-1-49-29-69-61(27-51(49)23-55)63-31-53(75-35-41-17-42(36-75)19-43(18-41)37-75)7-13-67(63)85(69)57-9-11-59-65-25-47(3-15-71(65)87-73(59)33-57)48-4-16-72-66(26-48)60-12-10-58(34-74(60)88-72)86-68-14-8-54(76-38-44-20-45(39-76)22-46(21-44)40-76)32-64(68)62-28-52-24-56(78(82,83)84)6-2-50(52)30-70(62)86/h1-16,23-34,41-46H,17-22,35-40H2
InChIKeyHEQRFOLVUVJTAW-UHFFFAOYSA-N
XLogP22.63
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001169.32
LogP ≤ 522.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole?
The IUPAC name of 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole (CID 90213676) is 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole.
What is the SMILES notation for 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole?
The canonical SMILES for 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole is FC(F)(F)c1ccc2cc3c(cc2c1)c1cc(C24CC5CC(CC(C5)C2)C4)ccc1n3-c1ccc2c(c1)oc1ccc(-c3ccc4oc5cc(-n6c7ccc(C89CC%10CC(CC(C%10)C8)C9)cc7c7cc8cc(C(F)(F)F)ccc8cc76)ccc5c4c3)cc12.
What is the InChIKey of 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole?
The InChIKey is HEQRFOLVUVJTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H58F6N2O2/c79-77(80,81)55-5-1-49-29-69-61(27-51(49)23-55)63-31-53(75-35-41-17-42(36-75)19-43(18-41)37-75)7-13-67(63)85(69)57-9-11-59-65-25-47(3-15-71(65)87-73(59)33-57)48-4-16-72-66(26-48)60-12-10-58(34-74(60)88-72)86-68-14-8-54(76-38-44-20-45(39-76)22-46(21-44)40-76)32-64(68)62-28-52-24-56(78(82,83)84)6-2-50(52)30-70(62)86/h1-16,23-34,41-46H,17-22,35-40H2.
What are the key properties of 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole?
2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole has a molecular weight of 1169.32 g/mol, XLogP of 22.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole is sourced from PubChem (CID 90213676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).