C180H114N10 — CID 71493884
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline (PubChem CID 71493884) has the molecular formula C180H114N10 and a molecular weight of 2416.96 g/mol. Its IUPAC name is 4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline.
| Compound Name | 4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline |
|---|---|
| PubChem CID | 71493884 |
| Molecular Formula | C180H114N10 |
| Molecular Weight | 2416.96 g/mol |
| Exact Mass | 2414.92 |
| IUPAC Name | 4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline |
| SMILES | c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7c7cc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)ccc76)cc5)cc4)c4ccc(-c5ccc(-n6c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc7c7cc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)ccc76)cc5)cc4)cc3)cc2)cc1 |
| InChI | InChI=1S/C180H114N10/c1-13-37-163-145(25-1)146-26-2-14-38-164(146)182(163)136-91-61-121(62-92-136)127-73-103-175-157(109-127)158-110-128(122-63-93-137(94-64-122)183-165-39-15-3-27-147(165)148-28-4-16-40-166(148)183)74-104-176(158)188(175)142-85-55-118(56-86-142)115-49-79-133(80-50-115)181(134-81-51-116(52-82-134)119-57-87-143(88-58-119)189-177-105-75-129(123-65-95-138(96-66-123)184-167-41-17-5-29-149(167)150-30-6-18-42-168(150)184)111-159(177)160-112-130(76-106-178(160)189)124-67-97-139(98-68-124)185-169-43-19-7-31-151(169)152-32-8-20-44-170(152)185)135-83-53-117(54-84-135)120-59-89-144(90-60-120)190-179-107-77-131(125-69-99-140(100-70-125)186-171-45-21-9-33-153(171)154-34-10-22-46-172(154)186)113-161(179)162-114-132(78-108-180(162)190)126-71-101-141(102-72-126)187-173-47-23-11-35-155(173)156-36-12-24-48-174(156)187/h1-114H |
| InChIKey | HDDYYJAGWHLIQK-UHFFFAOYSA-N |
| XLogP | 48.03 |
| TPSA | 47.61 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 190 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2416.96 |
| LogP ≤ 5 | 48.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |