5-[8-[phenyl-(4-phenylphenyl)methyl]dibenzothiophen-2-yl]naphtho[1,2-b][1]benzofuran

C47H30OS — CID 164799824

IUPAC5-[8-[phenyl-(4-phenylphenyl)methyl]dibenzothiophen-2-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2ccc(C(c3ccccc3)c3ccc4sc5ccc(-c6cc7c8ccccc8oc7c7ccccc67)cc5c4c3)cc2)cc1
InChIInChI=1S/C47H30OS/c1-3-11-30(12-4-1)31-19-21-33(22-20-31)46(32-13-5-2-6-14-32)35-24-26-45-41(28-35)40-27-34(23-25-44(40)49-45)39-29-42-37-16-9-10-18-43(37)48-47(42)38-17-8-7-15-36(38)39/h1-29,46H
InChIKeyOQKPMANJIWLVNV-UHFFFAOYSA-N
MW642.82 g/mol
LogP13.62
Rot. Bonds5

About 5-[8-[phenyl-(4-phenylphenyl)methyl]dibenzothiophen-2-yl]naphtho[1,2-b][1]benzofuran

5-[8-[phenyl-(4-phenylphenyl)methyl]dibenzothiophen-2-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 164799824) has the molecular formula C47H30OS and a molecular weight of 642.82 g/mol. Its IUPAC name is 5-[8-[phenyl-(4-phenylphenyl)methyl]dibenzothiophen-2-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name5-[8-[phenyl-(4-phenylphenyl)methyl]dibenzothiophen-2-yl]naphtho[1,2-b][1]benzofuran
PubChem CID164799824
Molecular FormulaC47H30OS
Molecular Weight642.82 g/mol
Exact Mass642.20
IUPAC Name5-[8-[phenyl-(4-phenylphenyl)methyl]dibenzothiophen-2-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2ccc(C(c3ccccc3)c3ccc4sc5ccc(-c6cc7c8ccccc8oc7c7ccccc67)cc5c4c3)cc2)cc1
InChIInChI=1S/C47H30OS/c1-3-11-30(12-4-1)31-19-21-33(22-20-31)46(32-13-5-2-6-14-32)35-24-26-45-41(28-35)40-27-34(23-25-44(40)49-45)39-29-42-37-16-9-10-18-43(37)48-47(42)38-17-8-7-15-36(38)39/h1-29,46H
InChIKeyOQKPMANJIWLVNV-UHFFFAOYSA-N
XLogP13.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.82
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138747013
4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59137078
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
4-[4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136660
4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59137016
12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene
CID 163540975
4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran
CID 59136862
N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine
CID 129085301
2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136885
6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran
CID 118349956
N-(2-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 167326338
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351045

Frequently Asked Questions

What is the IUPAC name of 5-[8-[phenyl-(4-phenylphenyl)methyl]dibenzothiophen-2-yl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 5-[8-[phenyl-(4-phenylphenyl)methyl]dibenzothiophen-2-yl]naphtho[1,2-b][1]benzofuran (CID 164799824) is 5-[8-[phenyl-(4-phenylphenyl)methyl]dibenzothiophen-2-yl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 5-[8-[phenyl-(4-phenylphenyl)methyl]dibenzothiophen-2-yl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 5-[8-[phenyl-(4-phenylphenyl)methyl]dibenzothiophen-2-yl]naphtho[1,2-b][1]benzofuran is c1ccc(-c2ccc(C(c3ccccc3)c3ccc4sc5ccc(-c6cc7c8ccccc8oc7c7ccccc67)cc5c4c3)cc2)cc1.
What is the InChIKey of 5-[8-[phenyl-(4-phenylphenyl)methyl]dibenzothiophen-2-yl]naphtho[1,2-b][1]benzofuran?
The InChIKey is OQKPMANJIWLVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30OS/c1-3-11-30(12-4-1)31-19-21-33(22-20-31)46(32-13-5-2-6-14-32)35-24-26-45-41(28-35)40-27-34(23-25-44(40)49-45)39-29-42-37-16-9-10-18-43(37)48-47(42)38-17-8-7-15-36(38)39/h1-29,46H.
What are the key properties of 5-[8-[phenyl-(4-phenylphenyl)methyl]dibenzothiophen-2-yl]naphtho[1,2-b][1]benzofuran?
5-[8-[phenyl-(4-phenylphenyl)methyl]dibenzothiophen-2-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 642.82 g/mol, XLogP of 13.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[phenyl-(4-phenylphenyl)methyl]dibenzothiophen-2-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 164799824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).