N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine
C132H104N4O2 — CID 159438248
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine
SMILESCC1(C)CC(C)(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)ccc21.CC1(C)CC(C)(c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3ccccc3)cc2)c2cc(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C66H50N2O2.C66H54N2/c1-65(2)43-66(3,46-30-32-47(33-31-46)67(59-26-14-10-22-51(59)44-18-6-4-7-19-44)48-35-38-63-55(40-48)53-24-12-16-28-61(53)69-63)58-42-50(34-37-57(58)65)68(60-27-15-11-23-52(60)45-20-8-5-9-21-45)49-36-39-64-56(41-49)54-25-13-17-29-62(54)70-64;1-65(2)47-66(3,54-36-42-57(43-37-54)67(55-38-32-50(33-39-55)48-20-8-4-9-21-48)63-30-18-16-28-59(63)52-24-12-6-13-25-52)62-46-58(44-45-61(62)65)68(56-40-34-51(35-41-56)49-22-10-5-11-23-49)64-31-19-17-29-60(64)53-26-14-7-15-27-53/h4-42H,43H2,1-3H3;4-46H,47H2,1-3H3
InChIKeyLRVQYLXNMWCVBC-UHFFFAOYSA-N
MW1778.31 g/mol
LogP37.03
Rot. Bonds20
About N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine
N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine (PubChem CID 159438248) has the molecular formula C132H104N4O2 and a molecular weight of 1778.31 g/mol. Its IUPAC name is N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine.
Molecular Properties
| Compound Name | N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine |
|---|---|
| PubChem CID | 159438248 |
| Molecular Formula | C132H104N4O2 |
| Molecular Weight | 1778.31 g/mol |
| Exact Mass | 1776.82 |
| IUPAC Name | N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine |
| SMILES | CC1(C)CC(C)(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)ccc21.CC1(C)CC(C)(c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3ccccc3)cc2)c2cc(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3ccccc3)ccc21 |
| InChI | InChI=1S/C66H50N2O2.C66H54N2/c1-65(2)43-66(3,46-30-32-47(33-31-46)67(59-26-14-10-22-51(59)44-18-6-4-7-19-44)48-35-38-63-55(40-48)53-24-12-16-28-61(53)69-63)58-42-50(34-37-57(58)65)68(60-27-15-11-23-52(60)45-20-8-5-9-21-45)49-36-39-64-56(41-49)54-25-13-17-29-62(54)70-64;1-65(2)47-66(3,54-36-42-57(43-37-54)67(55-38-32-50(33-39-55)48-20-8-4-9-21-48)63-30-18-16-28-59(63)52-24-12-6-13-25-52)62-46-58(44-45-61(62)65)68(56-40-34-51(35-41-56)49-22-10-5-11-23-49)64-31-19-17-29-60(64)53-26-14-7-15-27-53/h4-42H,43H2,1-3H3;4-46H,47H2,1-3H3 |
| InChIKey | LRVQYLXNMWCVBC-UHFFFAOYSA-N |
| XLogP | 37.03 |
| TPSA | 39.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 138 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1778.31 |
| LogP ≤ 5 | 37.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Frequently Asked Questions
What is the IUPAC name of N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine?
The IUPAC name of N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine (CID 159438248) is N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine.
What is the SMILES notation for N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine?
The canonical SMILES for N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine is CC1(C)CC(C)(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)ccc21.CC1(C)CC(C)(c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3ccccc3)cc2)c2cc(N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine?
The InChIKey is LRVQYLXNMWCVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N2O2.C66H54N2/c1-65(2)43-66(3,46-30-32-47(33-31-46)67(59-26-14-10-22-51(59)44-18-6-4-7-19-44)48-35-38-63-55(40-48)53-24-12-16-28-61(53)69-63)58-42-50(34-37-57(58)65)68(60-27-15-11-23-52(60)45-20-8-5-9-21-45)49-36-39-64-56(41-49)54-25-13-17-29-62(54)70-64;1-65(2)47-66(3,54-36-42-57(43-37-54)67(55-38-32-50(33-39-55)48-20-8-4-9-21-48)63-30-18-16-28-59(63)52-24-12-6-13-25-52)62-46-58(44-45-61(62)65)68(56-40-34-51(35-41-56)49-22-10-5-11-23-49)64-31-19-17-29-60(64)53-26-14-7-15-27-53/h4-42H,43H2,1-3H3;4-46H,47H2,1-3H3.
What are the key properties of N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine?
N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine has a molecular weight of 1778.31 g/mol, XLogP of 37.03, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine is sourced from PubChem (CID 159438248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159438248 — identifiers, structure, computed properties (public domain)
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