About CID 134954202
CID 134954202 (PubChem CID 134954202) has the molecular formula C137H164N8
and a molecular weight of 1922.87 g/mol.
Molecular Properties
| Compound Name | CID 134954202 |
|---|
| PubChem CID | 134954202 |
|---|
| Molecular Formula | C137H164N8 |
|---|
| Molecular Weight | 1922.87 g/mol |
|---|
| Exact Mass | 1921.31 |
|---|
| IUPAC Name | — |
|---|
| SMILES | Cc1cc(C(C)C)c(N2[C]N(c3c(C(C)C)cc(-c4ccc(C(c5ccc(-c6cc(C(C)C)c(N7[C]N(c8c(C(C)C)cc(C)cc8C(C)C)C=C7)c(C(C)C)c6)cc5)(c5ccc(-c6cc(C(C)C)c(N7[C]N(c8c(C(C)C)cc(C)cc8C(C)C)C=C7)c(C(C)C)c6)cc5)c5ccc(-c6cc(C(C)C)c(N7[C]N(c8c(C(C)C)cc(C)cc8C(C)C)C=C7)c(C(C)C)c6)cc5)cc4)cc3C(C)C)C=C2)c(C(C)C)c1 |
|---|
| InChI | InChI=1S/C137H164N8/c1-81(2)113-61-97(33)62-114(82(3)4)129(113)138-53-57-142(77-138)133-121(89(17)18)69-105(70-122(133)90(19)20)101-37-45-109(46-38-101)137(110-47-39-102(40-48-110)106-71-123(91(21)22)134(124(72-106)92(23)24)143-58-54-139(78-143)130-115(83(5)6)63-98(34)64-116(130)84(7)8,111-49-41-103(42-50-111)107-73-125(93(25)26)135(126(74-107)94(27)28)144-59-55-140(79-144)131-117(85(9)10)65-99(35)66-118(131)86(11)12)112-51-43-104(44-52-112)108-75-127(95(29)30)136(128(76-108)96(31)32)145-60-56-141(80-145)132-119(87(13)14)67-100(36)68-120(132)88(15)16/h37-76,81-96H,1-36H3 |
|---|
| InChIKey | GILCPSWJDSCRQC-UHFFFAOYSA-N |
|---|
| XLogP | 39.12 |
|---|
| TPSA | 25.92 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 32 |
|---|
| Heavy Atoms | 145 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1922.87 |
| LogP ≤ 5 | 39.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 134954202?
The IUPAC name of CID 134954202 (CID 134954202) is not available.
What is the SMILES notation for CID 134954202?
The canonical SMILES for CID 134954202 is Cc1cc(C(C)C)c(N2[C]N(c3c(C(C)C)cc(-c4ccc(C(c5ccc(-c6cc(C(C)C)c(N7[C]N(c8c(C(C)C)cc(C)cc8C(C)C)C=C7)c(C(C)C)c6)cc5)(c5ccc(-c6cc(C(C)C)c(N7[C]N(c8c(C(C)C)cc(C)cc8C(C)C)C=C7)c(C(C)C)c6)cc5)c5ccc(-c6cc(C(C)C)c(N7[C]N(c8c(C(C)C)cc(C)cc8C(C)C)C=C7)c(C(C)C)c6)cc5)cc4)cc3C(C)C)C=C2)c(C(C)C)c1.
What is the InChIKey of CID 134954202?
The InChIKey is GILCPSWJDSCRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C137H164N8/c1-81(2)113-61-97(33)62-114(82(3)4)129(113)138-53-57-142(77-138)133-121(89(17)18)69-105(70-122(133)90(19)20)101-37-45-109(46-38-101)137(110-47-39-102(40-48-110)106-71-123(91(21)22)134(124(72-106)92(23)24)143-58-54-139(78-143)130-115(83(5)6)63-98(34)64-116(130)84(7)8,111-49-41-103(42-50-111)107-73-125(93(25)26)135(126(74-107)94(27)28)144-59-55-140(79-144)131-117(85(9)10)65-99(35)66-118(131)86(11)12)112-51-43-104(44-52-112)108-75-127(95(29)30)136(128(76-108)96(31)32)145-60-56-141(80-145)132-119(87(13)14)67-100(36)68-120(132)88(15)16/h37-76,81-96H,1-36H3.
What are the key properties of CID 134954202?
CID 134954202 has a molecular weight of 1922.87 g/mol, XLogP of 39.12, 32 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134954202 is sourced from PubChem (CID 134954202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).