About 1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene
1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene (PubChem CID 91356771) has the molecular formula C125H92
and a molecular weight of 1594.11 g/mol. Its IUPAC name is 1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene.
Molecular Properties
| Compound Name | 1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene |
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| PubChem CID | 91356771 |
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| Molecular Formula | C125H92 |
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| Molecular Weight | 1594.11 g/mol |
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| Exact Mass | 1592.72 |
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| IUPAC Name | 1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene |
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| SMILES | c1ccc(-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(C(c6ccccc6)c6cccc7ccccc67)cc5)cc4)cc3)cc2)cc1.c1ccc(C(c2ccc(-c3ccc(C(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2ccc(-c3ccc(C(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1 |
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| InChI | InChI=1S/C65H48.C60H44/c1-4-18-52(19-5-1)63(55-38-30-46(31-39-55)48-34-42-57(43-35-48)64(53-20-6-2-7-21-53)61-28-14-24-50-16-10-12-26-59(50)61)56-40-32-47(33-41-56)49-36-44-58(45-37-49)65(54-22-8-3-9-23-54)62-29-15-25-51-17-11-13-27-60(51)62;1-4-13-43(14-5-1)45-27-35-53(36-28-45)59(54-37-29-46(30-38-54)44-15-6-2-7-16-44)55-39-31-49(32-40-55)47-23-25-48(26-24-47)50-33-41-56(42-34-50)60(52-18-8-3-9-19-52)58-22-12-20-51-17-10-11-21-57(51)58/h1-45,63-65H;1-42,59-60H |
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| InChIKey | AXXNABDTQWHJQK-UHFFFAOYSA-N |
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| XLogP | 32.74 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 21 |
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| Heavy Atoms | 125 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1594.11 |
| LogP ≤ 5 | 32.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Analyze 1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene?
The IUPAC name of 1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene (CID 91356771) is 1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene.
What is the SMILES notation for 1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene?
The canonical SMILES for 1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene is c1ccc(-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(C(c6ccccc6)c6cccc7ccccc67)cc5)cc4)cc3)cc2)cc1.c1ccc(C(c2ccc(-c3ccc(C(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2ccc(-c3ccc(C(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene?
The InChIKey is AXXNABDTQWHJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48.C60H44/c1-4-18-52(19-5-1)63(55-38-30-46(31-39-55)48-34-42-57(43-35-48)64(53-20-6-2-7-21-53)61-28-14-24-50-16-10-12-26-59(50)61)56-40-32-47(33-41-56)49-36-44-58(45-37-49)65(54-22-8-3-9-23-54)62-29-15-25-51-17-11-13-27-60(51)62;1-4-13-43(14-5-1)45-27-35-53(36-28-45)59(54-37-29-46(30-38-54)44-15-6-2-7-16-44)55-39-31-49(32-40-55)47-23-25-48(26-24-47)50-33-41-56(42-34-50)60(52-18-8-3-9-19-52)58-22-12-20-51-17-10-11-21-57(51)58/h1-45,63-65H;1-42,59-60H.
What are the key properties of 1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene?
1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene has a molecular weight of 1594.11 g/mol, XLogP of 32.74, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]phenyl]-phenylmethyl]naphthalene;1-[[4-[4-[[4-[4-[naphthalen-1-yl(phenyl)methyl]phenyl]phenyl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]naphthalene is sourced from PubChem (CID 91356771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).