C372H252N24 — CID 157240940
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine (PubChem CID 157240940) has the molecular formula C372H252N24 and a molecular weight of 5058.28 g/mol. Its IUPAC name is 1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine.
| Compound Name | 1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine |
|---|---|
| PubChem CID | 157240940 |
| Molecular Formula | C372H252N24 |
| Molecular Weight | 5058.28 g/mol |
| Exact Mass | 5054.05 |
| IUPAC Name | 1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris(9-phenylcarbazol-3-yl)benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine |
| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4cc(N(c5cc(N(c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)cc(N(c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccccc7)cc6)c6cccc7ccccc67)c5)c5cccc6ccccc56)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5cc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccccc7)cc6)cc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccccc7)cc6)c5)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(N(c4cc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5cccc6ccccc56)cc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5cccc6ccccc56)c4)c4cccc5ccccc45)ccc32)cc1.c1ccc(N(c2cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1 |
| InChI | InChI=1S/C108H72N6.C96H66N6.C90H60N6.C78H54N6/c1-4-25-73(26-5-1)76-49-55-82(56-50-76)112-103-43-19-16-40-94(103)97-70-85(61-64-106(97)112)109(100-46-22-34-79-31-10-13-37-91(79)100)88-67-89(110(101-47-23-35-80-32-11-14-38-92(80)101)86-62-65-107-98(71-86)95-41-17-20-44-104(95)113(107)83-57-51-77(52-58-83)74-27-6-2-7-28-74)69-90(68-88)111(102-48-24-36-81-33-12-15-39-93(81)102)87-63-66-108-99(72-87)96-42-18-21-45-105(96)114(108)84-59-53-78(54-60-84)75-29-8-3-9-30-75;1-7-25-67(26-8-1)70-43-49-76(50-44-70)100-91-40-22-19-37-85(91)88-64-79(55-58-94(88)100)97(73-31-13-4-14-32-73)82-61-83(98(74-33-15-5-16-34-74)80-56-59-95-89(65-80)86-38-20-23-41-92(86)101(95)77-51-45-71(46-52-77)68-27-9-2-10-28-68)63-84(62-82)99(75-35-17-6-18-36-75)81-57-60-96-90(66-81)87-39-21-24-42-93(87)102(96)78-53-47-72(48-54-78)69-29-11-3-12-30-69;1-4-31-64(32-5-1)94-85-43-19-16-40-76(85)79-58-67(49-52-88(79)94)91(82-46-22-28-61-25-10-13-37-73(61)82)70-55-71(92(83-47-23-29-62-26-11-14-38-74(62)83)68-50-53-89-80(59-68)77-41-17-20-44-86(77)95(89)65-33-6-2-7-34-65)57-72(56-70)93(84-48-24-30-63-27-12-15-39-75(63)84)69-51-54-90-81(60-69)78-42-18-21-45-87(78)96(90)66-35-8-3-9-36-66;1-7-25-55(26-8-1)79(61-43-46-76-70(52-61)67-37-19-22-40-73(67)82(76)58-31-13-4-14-32-58)64-49-65(80(56-27-9-2-10-28-56)62-44-47-77-71(53-62)68-38-20-23-41-74(68)83(77)59-33-15-5-16-34-59)51-66(50-64)81(57-29-11-3-12-30-57)63-45-48-78-72(54-63)69-39-21-24-42-75(69)84(78)60-35-17-6-18-36-60/h1-72H;1-66H;1-60H;1-54H |
| InChIKey | AVFAMUXIUPXFJV-UHFFFAOYSA-N |
| XLogP | 102.47 |
| TPSA | 98.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 396 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5058.28 |
| LogP ≤ 5 | 102.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |