CID 161109385

C63H56BN2Si — CID 161109385

IUPAC—
SMILESC.C.[B].c1ccc(Cc2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H36N2Si.C13H12.2CH4.B/c1-6-18-37(19-7-1)49(38-20-8-2-9-21-38)40-30-32-43(33-31-40)51(41-24-12-4-13-25-41,42-26-14-5-15-27-42)44-34-35-48-46(36-44)45-28-16-17-29-47(45)50(48)39-22-10-3-11-23-39;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;/h1-36H;1-10H,11H2;2*1H4;
InChIKeyZXMIECHNVFTACR-UHFFFAOYSA-N
MW880.05 g/mol
LogP13.80
Rot. Bonds10

About CID 161109385

CID 161109385 (PubChem CID 161109385) has the molecular formula C63H56BN2Si and a molecular weight of 880.05 g/mol.

Molecular Properties

Compound NameCID 161109385
PubChem CID161109385
Molecular FormulaC63H56BN2Si
Molecular Weight880.05 g/mol
Exact Mass879.43
IUPAC Name—
SMILESC.C.[B].c1ccc(Cc2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H36N2Si.C13H12.2CH4.B/c1-6-18-37(19-7-1)49(38-20-8-2-9-21-38)40-30-32-43(33-31-40)51(41-24-12-4-13-25-41,42-26-14-5-15-27-42)44-34-35-48-46(36-44)45-28-16-17-29-47(45)50(48)39-22-10-3-11-23-39;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;/h1-36H;1-10H,11H2;2*1H4;
InChIKeyZXMIECHNVFTACR-UHFFFAOYSA-N
XLogP13.80
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.05
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-4-[(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilyl]aniline
CID 158793280
4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine
CID 59720447
N-naphthalen-2-yl-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine
CID 59720564
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline
CID 90195275
N-(4-fluorophenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine
CID 59381378
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-trimethylsilylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 90195243
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706
bis(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-diphenylsilane
CID 58489663
N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;triphenyl-[4-[3-[9-(4-triphenylsilylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane;9-(4-tritylphenyl)-3-[9-(4-tritylphenyl)carbazol-3-yl]carbazole
CID 160525425
4-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-N-(4-triphenylsilylphenyl)aniline
CID 123610443
[9-(4-tert-butylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(3-carbazol-9-ylphenyl)carbazole;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 159459923

Frequently Asked Questions

What is the IUPAC name of CID 161109385?
The IUPAC name of CID 161109385 (CID 161109385) is not available.
What is the SMILES notation for CID 161109385?
The canonical SMILES for CID 161109385 is C.C.[B].c1ccc(Cc2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of CID 161109385?
The InChIKey is ZXMIECHNVFTACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2Si.C13H12.2CH4.B/c1-6-18-37(19-7-1)49(38-20-8-2-9-21-38)40-30-32-43(33-31-40)51(41-24-12-4-13-25-41,42-26-14-5-15-27-42)44-34-35-48-46(36-44)45-28-16-17-29-47(45)50(48)39-22-10-3-11-23-39;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;/h1-36H;1-10H,11H2;2*1H4;.
What are the key properties of CID 161109385?
CID 161109385 has a molecular weight of 880.05 g/mol, XLogP of 13.80, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161109385 is sourced from PubChem (CID 161109385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).