[13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane

About [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane

[13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane (PubChem CID 164844857) has the molecular formula C86H55NO2Si and a molecular weight of 1162.48 g/mol. Its IUPAC name is [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane.

Molecular Properties

Compound Name	[13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane
PubChem CID	164844857
Molecular Formula	C86H55NO2Si
Molecular Weight	1162.48 g/mol
Exact Mass	1161.40
IUPAC Name	[13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane
SMILES	c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3C3c5ccccc5C4c4cccc(-n5c6ccccc6c6cc(-c7c(-c8ccc9oc%10ccccc%10c9c8)cccc7-c7ccc8oc9ccccc9c8c7)ccc65)c43)c2)cc1
InChI	InChI=1S/C86H55NO2Si/c1-4-22-54(23-5-1)55-24-18-29-61(50-55)90(59-25-6-2-7-26-59,60-27-8-3-9-28-60)81-43-21-38-70-83-67-33-10-11-34-68(67)86(85(70)81)84-69(83)37-20-40-76(84)87-74-39-15-12-30-64(74)71-53-58(44-47-75(71)87)82-62(56-45-48-79-72(51-56)65-31-13-16-41-77(65)88-79)35-19-36-63(82)57-46-49-80-73(52-57)66-32-14-17-42-78(66)89-80/h1-53,83,86H
InChIKey	GFAZEEOVHCZCHL-UHFFFAOYSA-N
XLogP	19.62
TPSA	31.21 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	9
Heavy Atoms	90
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1162.48
LogP ≤ 5	19.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane?

The IUPAC name of [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane (CID 164844857) is [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane.

What is the SMILES notation for [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane?

The canonical SMILES for [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3C3c5ccccc5C4c4cccc(-n5c6ccccc6c6cc(-c7c(-c8ccc9oc%10ccccc%10c9c8)cccc7-c7ccc8oc9ccccc9c8c7)ccc65)c43)c2)cc1.

What is the InChIKey of [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane?

The InChIKey is GFAZEEOVHCZCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H55NO2Si/c1-4-22-54(23-5-1)55-24-18-29-61(50-55)90(59-25-6-2-7-26-59,60-27-8-3-9-28-60)81-43-21-38-70-83-67-33-10-11-34-68(67)86(85(70)81)84-69(83)37-20-40-76(84)87-74-39-15-12-30-64(74)71-53-58(44-47-75(71)87)82-62(56-45-48-79-72(51-56)65-31-13-16-41-77(65)88-79)35-19-36-63(82)57-46-49-80-73(52-57)66-32-14-17-42-78(66)89-80/h1-53,83,86H.

What are the key properties of [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane?

[13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane has a molecular weight of 1162.48 g/mol, XLogP of 19.62, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [13-[3-[2,6-di(dibenzofuran-2-yl)phenyl]carbazol-9-yl]-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane is sourced from PubChem (CID 164844857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).