About CID 140768421
CID 140768421 (PubChem CID 140768421) has the molecular formula C177H126
and a molecular weight of 2252.95 g/mol.
Molecular Properties
| Compound Name | CID 140768421 |
|---|
| PubChem CID | 140768421 |
|---|
| Molecular Formula | C177H126 |
|---|
| Molecular Weight | 2252.95 g/mol |
|---|
| Exact Mass | 2250.99 |
|---|
| IUPAC Name | — |
|---|
| SMILES | Cc1cc2cc(c1)c1ccc(cc1)c1cc(C)cc(c1)c1ccc(cc1)c1cc3cc(c1)c1ccc(cc1)c1cc4cc(c1)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)c1cc(C)cc(c1)c1ccc(cc1)c1cc(C)cc(c1)c1ccc(cc1)c1cc(C)cc(c1)c1ccc3cc1)c1ccc(cc1)c1cc(C)cc(c1)c1ccc(cc1)c1cc(C)cc(c1)c1ccc(cc1)c1cc(C)cc(c1)c1ccc(cc1)c1cc(cc(c1)c1ccc4cc1)c1ccc(cc1)c1cc(C)cc(c1)c1ccc2cc1 |
|---|
| InChI | InChI=1S/C177H126/c1-109-70-148-88-149(71-109)119-12-24-125(25-13-119)155-77-113(5)83-161(92-155)131-36-48-137(49-37-131)167-98-169-103-173(101-167)143-60-66-146(67-61-143)176-106-175-107-177(108-176)147-68-62-144(63-69-147)174-104-170(99-171(105-174)141-56-44-135(45-57-141)165-87-117(9)81-159(96-165)129-32-20-123(21-33-129)153-75-111(3)73-151(90-153)121-16-28-127(29-17-121)157-79-115(7)85-163(94-157)133-40-52-139(169)53-41-133)140-54-42-134(43-55-140)164-86-116(8)80-158(95-164)128-30-18-122(19-31-128)152-74-110(2)72-150(89-152)120-14-26-126(27-15-120)156-78-114(6)84-162(93-156)132-38-50-138(51-39-132)168-97-166(100-172(102-168)142-58-64-145(175)65-59-142)136-46-34-130(35-47-136)160-82-112(4)76-154(91-160)124-22-10-118(148)11-23-124/h10-108H,1-9H3 |
|---|
| InChIKey | GMTGYAFCVDETKT-UHFFFAOYSA-N |
|---|
| XLogP | 50.86 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 177 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 2252.95 |
| LogP ≤ 5 | 50.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of CID 140768421?
The IUPAC name of CID 140768421 (CID 140768421) is not available.
What is the SMILES notation for CID 140768421?
The canonical SMILES for CID 140768421 is Cc1cc2cc(c1)c1ccc(cc1)c1cc(C)cc(c1)c1ccc(cc1)c1cc3cc(c1)c1ccc(cc1)c1cc4cc(c1)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)c1cc(C)cc(c1)c1ccc(cc1)c1cc(C)cc(c1)c1ccc(cc1)c1cc(C)cc(c1)c1ccc3cc1)c1ccc(cc1)c1cc(C)cc(c1)c1ccc(cc1)c1cc(C)cc(c1)c1ccc(cc1)c1cc(C)cc(c1)c1ccc(cc1)c1cc(cc(c1)c1ccc4cc1)c1ccc(cc1)c1cc(C)cc(c1)c1ccc2cc1.
What is the InChIKey of CID 140768421?
The InChIKey is GMTGYAFCVDETKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C177H126/c1-109-70-148-88-149(71-109)119-12-24-125(25-13-119)155-77-113(5)83-161(92-155)131-36-48-137(49-37-131)167-98-169-103-173(101-167)143-60-66-146(67-61-143)176-106-175-107-177(108-176)147-68-62-144(63-69-147)174-104-170(99-171(105-174)141-56-44-135(45-57-141)165-87-117(9)81-159(96-165)129-32-20-123(21-33-129)153-75-111(3)73-151(90-153)121-16-28-127(29-17-121)157-79-115(7)85-163(94-157)133-40-52-139(169)53-41-133)140-54-42-134(43-55-140)164-86-116(8)80-158(95-164)128-30-18-122(19-31-128)152-74-110(2)72-150(89-152)120-14-26-126(27-15-120)156-78-114(6)84-162(93-156)132-38-50-138(51-39-132)168-97-166(100-172(102-168)142-58-64-145(175)65-59-142)136-46-34-130(35-47-136)160-82-112(4)76-154(91-160)124-22-10-118(148)11-23-124/h10-108H,1-9H3.
What are the key properties of CID 140768421?
CID 140768421 has a molecular weight of 2252.95 g/mol, XLogP of 50.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140768421 is sourced from PubChem (CID 140768421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).