C330H234N10 — CID 160623402
5-N,8-N-dinaphthalen-2-yl-5-N,8-N-diphenylbenzo[c]phenanthrene-5,8-diamine;5-N,8-N-diphenyl-5-N,8-N-bis(4-phenylphenyl)benzo[c]phenanthrene-5,8-diamine;N-[4-[10,10-diphenyl-9-[4-(N-(4-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;N-[4-[10,10-diphenyl-9-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-N,5-N,8-N,8-N-tetrakis(4-phenylphenyl)benzo[c]phenanthrene-5,8-diamine (PubChem CID 160623402) has the molecular formula C330H234N10 and a molecular weight of 4339.57 g/mol. Its IUPAC name is 5-N,8-N-dinaphthalen-2-yl-5-N,8-N-diphenylbenzo[c]phenanthrene-5,8-diamine;5-N,8-N-diphenyl-5-N,8-N-bis(4-phenylphenyl)benzo[c]phenanthrene-5,8-diamine;N-[4-[10,10-diphenyl-9-[4-(N-(4-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;N-[4-[10,10-diphenyl-9-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-N,5-N,8-N,8-N-tetrakis(4-phenylphenyl)benzo[c]phenanthrene-5,8-diamine.
| Compound Name | 5-N,8-N-dinaphthalen-2-yl-5-N,8-N-diphenylbenzo[c]phenanthrene-5,8-diamine;5-N,8-N-diphenyl-5-N,8-N-bis(4-phenylphenyl)benzo[c]phenanthrene-5,8-diamine;N-[4-[10,10-diphenyl-9-[4-(N-(4-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;N-[4-[10,10-diphenyl-9-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-N,5-N,8-N,8-N-tetrakis(4-phenylphenyl)benzo[c]phenanthrene-5,8-diamine |
|---|---|
| PubChem CID | 160623402 |
| Molecular Formula | C330H234N10 |
| Molecular Weight | 4339.57 g/mol |
| Exact Mass | 4335.86 |
| IUPAC Name | 5-N,8-N-dinaphthalen-2-yl-5-N,8-N-diphenylbenzo[c]phenanthrene-5,8-diamine;5-N,8-N-diphenyl-5-N,8-N-bis(4-phenylphenyl)benzo[c]phenanthrene-5,8-diamine;N-[4-[10,10-diphenyl-9-[4-(N-(4-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;N-[4-[10,10-diphenyl-9-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anthracen-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;5-N,5-N,8-N,8-N-tetrakis(4-phenylphenyl)benzo[c]phenanthrene-5,8-diamine |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c5ccccc5c4c4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C4(c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)c5ccccc5c4c4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)cc2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cc3cc(N(c4ccccc4)c4ccc5ccccc5c4)c4ccccc4c3c3ccccc23)cc1 |
| InChI | InChI=1S/C86H62N2.C74H54N2.C66H46N2.C54H38N2.C50H34N2/c1-7-23-63(24-8-1)67-39-51-75(52-40-67)87(76-53-41-68(42-54-76)64-25-9-2-10-26-64)79-59-47-73(48-60-79)86(83-37-21-19-35-81(83)85(71-31-15-5-16-32-71,72-33-17-6-18-34-72)82-36-20-22-38-84(82)86)74-49-61-80(62-50-74)88(77-55-43-69(44-56-77)65-27-11-3-12-28-65)78-57-45-70(46-58-78)66-29-13-4-14-30-66;1-7-23-55(24-8-1)57-39-47-65(48-40-57)75(63-31-15-5-16-32-63)67-51-43-61(44-52-67)74(62-45-53-68(54-46-62)76(64-33-17-6-18-34-64)66-49-41-58(42-50-66)56-25-9-2-10-26-56)71-37-21-19-35-69(71)73(59-27-11-3-12-28-59,60-29-13-4-14-30-60)70-36-20-22-38-72(70)74;1-5-17-47(18-6-1)51-29-37-56(38-30-51)67(57-39-31-52(32-40-57)48-19-7-2-8-20-48)64-45-55-46-65(61-26-14-16-28-63(61)66(55)62-27-15-13-25-60(62)64)68(58-41-33-53(34-42-58)49-21-9-3-10-22-49)59-43-35-54(36-44-59)50-23-11-4-12-24-50;1-5-17-39(18-6-1)41-29-33-46(34-30-41)55(44-21-9-3-10-22-44)52-37-43-38-53(49-26-14-16-28-51(49)54(43)50-27-15-13-25-48(50)52)56(45-23-11-4-12-24-45)47-35-31-42(32-36-47)40-19-7-2-8-20-40;1-3-19-40(20-4-1)51(42-29-27-35-15-7-9-17-37(35)31-42)48-33-39-34-49(45-24-12-14-26-47(45)50(39)46-25-13-11-23-44(46)48)52(41-21-5-2-6-22-41)43-30-28-36-16-8-10-18-38(36)32-43/h1-62H;1-54H;1-46H;1-38H;1-34H |
| InChIKey | RGZISQWANHUIPV-UHFFFAOYSA-N |
| XLogP | 89.98 |
| TPSA | 32.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 340 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4339.57 |
| LogP ≤ 5 | 89.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |