C168H110N4 — CID 159502015
N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-2-ylanthracen-9-yl)-N-phenylanthracen-9-amine;N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-4-(10-naphthalen-2-ylanthracen-9-yl)-N-phenylnaphthalen-1-amine (PubChem CID 159502015) has the molecular formula C168H110N4 and a molecular weight of 2184.76 g/mol. Its IUPAC name is N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-2-ylanthracen-9-yl)-N-phenylanthracen-9-amine;N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-4-(10-naphthalen-2-ylanthracen-9-yl)-N-phenylnaphthalen-1-amine.
| Compound Name | N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-2-ylanthracen-9-yl)-N-phenylanthracen-9-amine;N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-4-(10-naphthalen-2-ylanthracen-9-yl)-N-phenylnaphthalen-1-amine |
|---|---|
| PubChem CID | 159502015 |
| Molecular Formula | C168H110N4 |
| Molecular Weight | 2184.76 g/mol |
| Exact Mass | 2182.87 |
| IUPAC Name | N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-10-(10-naphthalen-2-ylanthracen-9-yl)-N-phenylanthracen-9-amine;N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-4-(10-naphthalen-2-ylanthracen-9-yl)-N-phenylnaphthalen-1-amine |
| SMILES | c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccc4)ccc2n3-c2ccc(N(c3ccccc3)c3c4ccccc4c(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c4ccccc34)cc2)cc1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccc4)ccc2n3-c2ccc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c4ccccc34)cc2)cc1 |
| InChI | InChI=1S/C86H56N2.C82H54N2/c1-4-25-58(26-5-1)67-32-12-14-34-69(67)61-46-52-81-79(55-61)80-56-62(70-35-15-13-33-68(70)59-27-6-2-7-28-59)47-53-82(80)88(81)66-50-48-65(49-51-66)87(64-30-8-3-9-31-64)86-77-42-22-20-40-75(77)85(76-41-21-23-43-78(76)86)84-73-38-18-16-36-71(73)83(72-37-17-19-39-74(72)84)63-45-44-57-24-10-11-29-60(57)54-63;1-4-23-56(24-5-1)65-30-12-14-32-67(65)59-42-49-79-76(53-59)77-54-60(68-33-15-13-31-66(68)57-25-6-2-7-26-57)43-50-80(77)84(79)64-46-44-63(45-47-64)83(62-28-8-3-9-29-62)78-51-48-75(69-34-16-17-35-70(69)78)82-73-38-20-18-36-71(73)81(72-37-19-21-39-74(72)82)61-41-40-55-22-10-11-27-58(55)52-61/h1-56H;1-54H |
| InChIKey | LZMWIRHLWWFKOL-UHFFFAOYSA-N |
| XLogP | 46.89 |
| TPSA | 16.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 172 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2184.76 |
| LogP ≤ 5 | 46.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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