C147H94N14 — CID 146480892
6-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[4-[3-[4-[4-[11-[4-[4-[3-[2-[4-[11-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]quinolin-6-yl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]indolo[3,2-c]quinolin-6-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]phenyl]indolo[3,2-c]quinoline (PubChem CID 146480892) has the molecular formula C147H94N14 and a molecular weight of 2056.47 g/mol. Its IUPAC name is 6-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[4-[3-[4-[4-[11-[4-[4-[3-[2-[4-[11-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]quinolin-6-yl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]indolo[3,2-c]quinolin-6-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]phenyl]indolo[3,2-c]quinoline.
| Compound Name | 6-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[4-[3-[4-[4-[11-[4-[4-[3-[2-[4-[11-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]quinolin-6-yl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]indolo[3,2-c]quinolin-6-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]phenyl]indolo[3,2-c]quinoline |
|---|---|
| PubChem CID | 146480892 |
| Molecular Formula | C147H94N14 |
| Molecular Weight | 2056.47 g/mol |
| Exact Mass | 2054.78 |
| IUPAC Name | 6-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[4-[3-[4-[4-[11-[4-[4-[3-[2-[4-[11-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]indolo[3,2-c]quinolin-6-yl]phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]phenyl]indolo[3,2-c]quinolin-6-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]phenyl]indolo[3,2-c]quinoline |
| SMILES | C=C(/C=C\C=C/C)n1c2ccccc2c2c(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccc(-c7ccc(-n8c9ccccc9c9c(-c%10ccc(-c%11cc(-c%12ccccc%12)nc(-c%12cccc(-c%13ccc(-c%14ccc(-n%15c%16ccccc%16c%16c(-c%17ccc(-c%18nc(-c%19ccccc%19)nc(-n%19c%20ccccc%20c%20ccccc%20%19)n%18)cc%17)nc%17ccccc%17c%16%15)cc%14)cc%13)c%12)n%11)cc%10)nc%10ccccc%10c98)cc7)cc6)c5)n4)cc3)nc3ccccc3c21 |
| InChI | InChI=1S/C147H94N14/c1-3-4-8-33-92(2)158-131-57-28-20-49-119(131)134-137(148-122-52-23-15-46-116(122)140(134)158)103-72-76-106(77-73-103)143-151-126(100-36-11-6-12-37-100)91-128(154-143)110-42-31-40-108(88-110)97-64-60-93(61-65-97)95-80-84-112(85-81-95)159-132-58-29-21-50-120(132)135-138(149-123-53-24-16-47-117(123)141(135)159)102-70-68-101(69-71-102)127-90-125(99-34-9-5-10-35-99)152-146(153-127)111-43-32-41-109(89-111)98-66-62-94(63-67-98)96-82-86-113(87-83-96)160-133-59-30-22-51-121(133)136-139(150-124-54-25-17-48-118(124)142(136)160)104-74-78-107(79-75-104)145-155-144(105-38-13-7-14-39-105)156-147(157-145)161-129-55-26-18-44-114(129)115-45-19-27-56-130(115)161/h3-91H,2H2,1H3/b4-3-,33-8- |
| InChIKey | RZFARYREQLZQBH-IPDCQZCDSA-N |
| XLogP | 37.10 |
| TPSA | 148.62 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 161 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2056.47 |
| LogP ≤ 5 | 37.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'polyene', 'substructure': 'N/A'} |
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