CID 162465256

C45H45N4OSi — CID 162465256

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1-c1ccnc(-n2c3ccccc3c3ccc([Si](C)c4cccc(N5ON(C(C)C)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C45H45N4OSi/c1-29(2)36-17-13-18-37(30(3)4)45(36)32-24-25-46-44(26-32)47-40-19-9-8-16-38(40)39-23-22-35(28-43(39)47)51(7)34-15-12-14-33(27-34)49-42-21-11-10-20-41(42)48(50-49)31(5)6/h8-31H,1-7H3
InChIKeySTNJXDRCYLDCCL-UHFFFAOYSA-N
MW685.97 g/mol
LogP10.54
Rot. Bonds8

About CID 162465256

CID 162465256 (PubChem CID 162465256) has the molecular formula C45H45N4OSi and a molecular weight of 685.97 g/mol.

Molecular Properties

Compound NameCID 162465256
PubChem CID162465256
Molecular FormulaC45H45N4OSi
Molecular Weight685.97 g/mol
Exact Mass685.34
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1-c1ccnc(-n2c3ccccc3c3ccc([Si](C)c4cccc(N5ON(C(C)C)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C45H45N4OSi/c1-29(2)36-17-13-18-37(30(3)4)45(36)32-24-25-46-44(26-32)47-40-19-9-8-16-38(40)39-23-22-35(28-43(39)47)51(7)34-15-12-14-33(27-34)49-42-21-11-10-20-41(42)48(50-49)31(5)6/h8-31H,1-7H3
InChIKeySTNJXDRCYLDCCL-UHFFFAOYSA-N
XLogP10.54
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.97
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]-diphenylmethyl]phenyl]-3-propan-2-yl-2,1,3-benzoxadiazole
CID 160953291
[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]silane
CID 167381579
2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-diphenylmethyl]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole
CID 169055773
[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane
CID 167382905
9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]carbazole
CID 167401969
2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]methyl]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole
CID 167399455
[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]-dimethyl-[3-(1-phenyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]silane;platinum
CID 162465192
2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
CID 167401803
3-tert-butyl-1-[3-[[9-[4-(2,6-diphenylphenyl)-2-pyridinyl]carbazol-2-yl]-diphenylmethyl]phenyl]-2,1,3-benzoxadiazole
CID 159503917
1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole
CID 160561549
N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 155622863
2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
CID 167382062

Frequently Asked Questions

What is the IUPAC name of CID 162465256?
The IUPAC name of CID 162465256 (CID 162465256) is not available.
What is the SMILES notation for CID 162465256?
The canonical SMILES for CID 162465256 is CC(C)c1cccc(C(C)C)c1-c1ccnc(-n2c3ccccc3c3ccc([Si](C)c4cccc(N5ON(C(C)C)c6ccccc65)c4)cc32)c1.
What is the InChIKey of CID 162465256?
The InChIKey is STNJXDRCYLDCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H45N4OSi/c1-29(2)36-17-13-18-37(30(3)4)45(36)32-24-25-46-44(26-32)47-40-19-9-8-16-38(40)39-23-22-35(28-43(39)47)51(7)34-15-12-14-33(27-34)49-42-21-11-10-20-41(42)48(50-49)31(5)6/h8-31H,1-7H3.
What are the key properties of CID 162465256?
CID 162465256 has a molecular weight of 685.97 g/mol, XLogP of 10.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162465256 is sourced from PubChem (CID 162465256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).