5-[8-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-phenyldibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline

C66H46N2OSi2 — CID 140678594

IUPAC5-[8-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-phenyldibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline
SMILESc1ccc(-c2cc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc3c2oc2ccc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)cc23)cc1
InChIInChI=1S/C66H46N2OSi2/c1-6-24-47(25-7-1)54-45-49(68-59-36-18-22-40-64(59)71(52-30-12-4-13-31-52,53-32-14-5-15-33-53)65-41-23-19-37-60(65)68)46-56-55-44-48(42-43-61(55)69-66(54)56)67-57-34-16-20-38-62(57)70(50-26-8-2-9-27-50,51-28-10-3-11-29-51)63-39-21-17-35-58(63)67/h1-46H
InChIKeyKAIMDPVTZOMDBX-UHFFFAOYSA-N
MW939.28 g/mol
LogP11.57
Rot. Bonds7

About 5-[8-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-phenyldibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline

5-[8-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-phenyldibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline (PubChem CID 140678594) has the molecular formula C66H46N2OSi2 and a molecular weight of 939.28 g/mol. Its IUPAC name is 5-[8-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-phenyldibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name5-[8-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-phenyldibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline
PubChem CID140678594
Molecular FormulaC66H46N2OSi2
Molecular Weight939.28 g/mol
Exact Mass938.31
IUPAC Name5-[8-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-phenyldibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline
SMILESc1ccc(-c2cc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc3c2oc2ccc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)cc23)cc1
InChIInChI=1S/C66H46N2OSi2/c1-6-24-47(25-7-1)54-45-49(68-59-36-18-22-40-64(59)71(52-30-12-4-13-31-52,53-32-14-5-15-33-53)65-41-23-19-37-60(65)68)46-56-55-44-48(42-43-61(55)69-66(54)56)67-57-34-16-20-38-62(57)70(50-26-8-2-9-27-50,51-28-10-3-11-29-51)63-39-21-17-35-58(63)67/h1-46H
InChIKeyKAIMDPVTZOMDBX-UHFFFAOYSA-N
XLogP11.57
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.28
LogP ≤ 511.57
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

5-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 90393936
5-[4-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-2-methylphenyl]-3-methylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 140856445
10-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]-2,7,9,9-tetraphenylacridine
CID 140937115
5-[5,17-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 163484583
N-(4-naphthalen-1-ylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]dibenzofuran-2-amine
CID 153260612
7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 140820690
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
CID 160908481
5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine
CID 59146950
5-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 163413478
7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-methyl-2-phenylisoquinolin-1-one
CID 140820703
N-dibenzofuran-3-yl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]dibenzofuran-3-amine
CID 149206200
N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-4-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 139527930

Frequently Asked Questions

What is the IUPAC name of 5-[8-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-phenyldibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The IUPAC name of 5-[8-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-phenyldibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline (CID 140678594) is 5-[8-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-phenyldibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 5-[8-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-phenyldibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 5-[8-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-phenyldibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline is c1ccc(-c2cc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc3c2oc2ccc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)cc23)cc1.
What is the InChIKey of 5-[8-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-phenyldibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
The InChIKey is KAIMDPVTZOMDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2OSi2/c1-6-24-47(25-7-1)54-45-49(68-59-36-18-22-40-64(59)71(52-30-12-4-13-31-52,53-32-14-5-15-33-53)65-41-23-19-37-60(65)68)46-56-55-44-48(42-43-61(55)69-66(54)56)67-57-34-16-20-38-62(57)70(50-26-8-2-9-27-50,51-28-10-3-11-29-51)63-39-21-17-35-58(63)67/h1-46H.
What are the key properties of 5-[8-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-phenyldibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline?
5-[8-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-phenyldibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline has a molecular weight of 939.28 g/mol, XLogP of 11.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-phenyldibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 140678594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).