bis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane

C56H38N2Si — CID 59770814

IUPACbis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane
SMILESc1ccc2cc([Si](c3ccc(-n4c5ccccc5c5ccccc54)cc3)(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C56H38N2Si/c1-3-15-41-37-47(31-25-39(41)13-1)59(48-32-26-40-14-2-4-16-42(40)38-48,45-33-27-43(28-34-45)57-53-21-9-5-17-49(53)50-18-6-10-22-54(50)57)46-35-29-44(30-36-46)58-55-23-11-7-19-51(55)52-20-8-12-24-56(52)58/h1-38H
InChIKeyLIGRRKYMQQDQNT-UHFFFAOYSA-N
MW767.02 g/mol
LogP11.56
Rot. Bonds6

About bis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane

bis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane (PubChem CID 59770814) has the molecular formula C56H38N2Si and a molecular weight of 767.02 g/mol. Its IUPAC name is bis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane.

Molecular Properties

Compound Namebis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane
PubChem CID59770814
Molecular FormulaC56H38N2Si
Molecular Weight767.02 g/mol
Exact Mass766.28
IUPAC Namebis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane
SMILESc1ccc2cc([Si](c3ccc(-n4c5ccccc5c5ccccc54)cc3)(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C56H38N2Si/c1-3-15-41-37-47(31-25-39(41)13-1)59(48-32-26-40-14-2-4-16-42(40)38-48,45-33-27-43(28-34-45)57-53-21-9-5-17-49(53)50-18-6-10-22-54(50)57)46-35-29-44(30-36-46)58-55-23-11-7-19-51(55)52-20-8-12-24-56(52)58/h1-38H
InChIKeyLIGRRKYMQQDQNT-UHFFFAOYSA-N
XLogP11.56
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.02
LogP ≤ 511.56
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

bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane
CID 123447866
bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550
tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane
CID 102286078
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
(3-carbazol-9-ylphenyl)-triphenylsilane
CID 58926933
9-[4-[6-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]carbazole
CID 58971525
[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane
CID 53427855
(4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane
CID 59469948
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739

Frequently Asked Questions

What is the IUPAC name of bis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane?
The IUPAC name of bis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane (CID 59770814) is bis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane.
What is the SMILES notation for bis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane?
The canonical SMILES for bis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane is c1ccc2cc([Si](c3ccc(-n4c5ccccc5c5ccccc54)cc3)(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of bis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane?
The InChIKey is LIGRRKYMQQDQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2Si/c1-3-15-41-37-47(31-25-39(41)13-1)59(48-32-26-40-14-2-4-16-42(40)38-48,45-33-27-43(28-34-45)57-53-21-9-5-17-49(53)50-18-6-10-22-54(50)57)46-35-29-44(30-36-46)58-55-23-11-7-19-51(55)52-20-8-12-24-56(52)58/h1-38H.
What are the key properties of bis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane?
bis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane has a molecular weight of 767.02 g/mol, XLogP of 11.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-carbazol-9-ylphenyl)-dinaphthalen-2-ylsilane is sourced from PubChem (CID 59770814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).