N,N-bis(4-naphthalen-1-ylphenyl)-5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-1-amine

C70H49N3Si — CID 153449220

IUPACN,N-bis(4-naphthalen-1-ylphenyl)-5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-1-amine
SMILESc1ccc(N2c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)c3[Si](c3ccccc3)(c3ccccc3)c3c2n(-c2ccccc2)c2ccccc32)cc1
InChIInChI=1S/C70H49N3Si/c1-5-26-54(27-6-1)72-65-39-18-17-36-64(65)68-70(72)73(55-28-7-2-8-29-55)67-41-21-40-66(69(67)74(68,58-30-9-3-10-31-58)59-32-11-4-12-33-59)71(56-46-42-52(43-47-56)62-37-19-24-50-22-13-15-34-60(50)62)57-48-44-53(45-49-57)63-38-20-25-51-23-14-16-35-61(51)63/h1-49H
InChIKeyKJUNKLIAEQKFER-UHFFFAOYSA-N
MW960.27 g/mol
LogP15.90
Rot. Bonds9

About N,N-bis(4-naphthalen-1-ylphenyl)-5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-1-amine

N,N-bis(4-naphthalen-1-ylphenyl)-5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-1-amine (PubChem CID 153449220) has the molecular formula C70H49N3Si and a molecular weight of 960.27 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-1-ylphenyl)-5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-1-amine.

Molecular Properties

Compound NameN,N-bis(4-naphthalen-1-ylphenyl)-5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-1-amine
PubChem CID153449220
Molecular FormulaC70H49N3Si
Molecular Weight960.27 g/mol
Exact Mass959.37
IUPAC NameN,N-bis(4-naphthalen-1-ylphenyl)-5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-1-amine
SMILESc1ccc(N2c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)c3[Si](c3ccccc3)(c3ccccc3)c3c2n(-c2ccccc2)c2ccccc32)cc1
InChIInChI=1S/C70H49N3Si/c1-5-26-54(27-6-1)72-65-39-18-17-36-64(65)68-70(72)73(55-28-7-2-8-29-55)67-41-21-40-66(69(67)74(68,58-30-9-3-10-31-58)59-32-11-4-12-33-59)71(56-46-42-52(43-47-56)62-37-19-24-50-22-13-15-34-60(50)62)57-48-44-53(45-49-57)63-38-20-25-51-23-14-16-35-61(51)63/h1-49H
InChIKeyKJUNKLIAEQKFER-UHFFFAOYSA-N
XLogP15.90
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.27
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(4-naphthalen-1-ylphenyl)-5,6,11-triphenylindolo[3,2-b]quinoxalin-10-amine
CID 153449161
N-phenyl-N-[4-(2-phenylphenyl)phenyl]-3-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline
CID 153449211
N-naphthalen-1-yl-5,6,11,11-tetraphenyl-N-(7-phenyldibenzofuran-3-yl)indolo[2,3-b][1,4]benzazasilin-3-amine
CID 153449168
4-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-3-yl)phenyl]aniline
CID 153449160
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 168835696
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 139339073
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 167227719
N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine
CID 160882826
N-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 146360107
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303156
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501807
N-naphthalen-1-yl-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]carbazol-3-amine
CID 129092334

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-1-amine?
The IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-1-amine (CID 153449220) is N,N-bis(4-naphthalen-1-ylphenyl)-5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-1-amine.
What is the SMILES notation for N,N-bis(4-naphthalen-1-ylphenyl)-5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-1-amine?
The canonical SMILES for N,N-bis(4-naphthalen-1-ylphenyl)-5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-1-amine is c1ccc(N2c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)c3[Si](c3ccccc3)(c3ccccc3)c3c2n(-c2ccccc2)c2ccccc32)cc1.
What is the InChIKey of N,N-bis(4-naphthalen-1-ylphenyl)-5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-1-amine?
The InChIKey is KJUNKLIAEQKFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49N3Si/c1-5-26-54(27-6-1)72-65-39-18-17-36-64(65)68-70(72)73(55-28-7-2-8-29-55)67-41-21-40-66(69(67)74(68,58-30-9-3-10-31-58)59-32-11-4-12-33-59)71(56-46-42-52(43-47-56)62-37-19-24-50-22-13-15-34-60(50)62)57-48-44-53(45-49-57)63-38-20-25-51-23-14-16-35-61(51)63/h1-49H.
What are the key properties of N,N-bis(4-naphthalen-1-ylphenyl)-5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-1-amine?
N,N-bis(4-naphthalen-1-ylphenyl)-5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-1-amine has a molecular weight of 960.27 g/mol, XLogP of 15.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphthalen-1-ylphenyl)-5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-1-amine is sourced from PubChem (CID 153449220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).