C129H103Br2N137S — CID 165038350
(E)-bis[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazene;2-bromo-9,9-dimethylfluorene;1-bromo-3-phenylbenzene;9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine;9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine;1-naphthalen-1-ylnaphthalen-2-amine;sulfane (PubChem CID 165038350) has the molecular formula C129H103Br2N137S and a molecular weight of 3764.08 g/mol. Its IUPAC name is (E)-bis[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazene;2-bromo-9,9-dimethylfluorene;1-bromo-3-phenylbenzene;9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine;9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine;1-naphthalen-1-ylnaphthalen-2-amine;sulfane.
| Compound Name | (E)-bis[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazene;2-bromo-9,9-dimethylfluorene;1-bromo-3-phenylbenzene;9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine;9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine;1-naphthalen-1-ylnaphthalen-2-amine;sulfane |
|---|---|
| PubChem CID | 165038350 |
| Molecular Formula | C129H103Br2N137S |
| Molecular Weight | 3764.08 g/mol |
| Exact Mass | 3760.04 |
| IUPAC Name | (E)-bis[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazene;2-bromo-9,9-dimethylfluorene;1-bromo-3-phenylbenzene;9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine;9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine;1-naphthalen-1-ylnaphthalen-2-amine;sulfane |
| SMILES | Brc1cccc(-c2ccccc2)c1.CC1(C)c2ccccc2-c2ccc(Br)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccccc4c3-c3cccc4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(Nc3ccc4ccccc4c3-c3cccc4ccccc34)cc21.Nc1ccc2ccccc2c1-c1cccc2ccccc12.S.[H]/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/[H] |
| InChI | InChI=1S/C47H35N.C35H27N.C20H15N.C15H13Br.C12H9Br.H2N134.H2S/c1-47(2)43-25-11-10-23-40(43)41-28-27-37(31-44(41)47)48(36-20-12-19-35(30-36)32-14-4-3-5-15-32)45-29-26-34-17-7-9-22-39(34)46(45)42-24-13-18-33-16-6-8-21-38(33)42;1-35(2)31-17-8-7-15-28(31)29-20-19-25(22-32(29)35)36-33-21-18-24-11-4-6-14-27(24)34(33)30-16-9-12-23-10-3-5-13-26(23)30;21-19-13-12-15-7-2-4-10-17(15)20(19)18-11-5-8-14-6-1-3-9-16(14)18;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15;13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-31H,1-2H3;3-22,36H,1-2H3;1-13H,21H2;3-9H,1-2H3;1-9H;1-2H;1H2/b;;;;;3-1+,4-2+,7-5+,8-6+,11-9+,12-10+,15-13+,16-14+,19-17+,20-18+,23-21+,24-22+,27-25+,28-26+,31-29+,32-30+,35-33+,36-34+,39-37+,40-38+,43-41+,44-42+,47-45+,48-46+,51-49+,52-50+,55-53+,56-54+,59-57+,60-58+,63-61+,64-62+,67-65+,68-66+,71-69+,72-70+,75-73+,76-74+,79-77+,80-78+,83-81+,84-82+,87-85+,88-86+,91-89+,92-90+,95-93+,96-94+,99-97+,100-98+,103-101+,104-102+,107-105+,108-106+,111-109+,112-110+,115-113+,116-114+,119-117+,120-118+,123-121+,124-122+,127-125+,128-126+,131-129+,132-130+,134-133+; |
| InChIKey | NSRSYJXCWZSHIS-MQTSKPMASA-N |
| XLogP | 61.87 |
| TPSA | 1720.51 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 76 |
| Heavy Atoms | 269 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3764.08 |
| LogP ≤ 5 | 61.87 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|