N-(5,5-dimethyldibenzothiophen-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine

C50H37NOS — CID 167285468

IUPACN-(5,5-dimethyldibenzothiophen-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESCS1(C)c2ccccc2-c2c(N(c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)cccc21
InChIInChI=1S/C50H37NOS/c1-53(2)46-32-14-12-25-41(46)49-43(29-17-33-47(49)53)51(44-30-16-27-40-38-23-11-13-31-45(38)52-50(40)44)42-28-15-26-37(35-20-7-4-8-21-35)48(42)39-24-10-9-22-36(39)34-18-5-3-6-19-34/h3-33H,1-2H3
InChIKeySOKQZYJBBOPACA-UHFFFAOYSA-N
MW699.92 g/mol
LogP14.52
Rot. Bonds6

About N-(5,5-dimethyldibenzothiophen-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine

N-(5,5-dimethyldibenzothiophen-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 167285468) has the molecular formula C50H37NOS and a molecular weight of 699.92 g/mol. Its IUPAC name is N-(5,5-dimethyldibenzothiophen-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(5,5-dimethyldibenzothiophen-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID167285468
Molecular FormulaC50H37NOS
Molecular Weight699.92 g/mol
Exact Mass699.26
IUPAC NameN-(5,5-dimethyldibenzothiophen-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESCS1(C)c2ccccc2-c2c(N(c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)cccc21
InChIInChI=1S/C50H37NOS/c1-53(2)46-32-14-12-25-41(46)49-43(29-17-33-47(49)53)51(44-30-16-27-40-38-23-11-13-31-45(38)52-50(40)44)42-28-15-26-37(35-20-7-4-8-21-35)48(42)39-24-10-9-22-36(39)34-18-5-3-6-19-34/h3-33H,1-2H3
InChIKeySOKQZYJBBOPACA-UHFFFAOYSA-N
XLogP14.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.92
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168790337
N-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168789511
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168788827
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788600
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168790978
N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168789688
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376
N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168788865
N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167285621
N-dibenzothiophen-3-yl-5,5-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167285469
N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502890

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyldibenzothiophen-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(5,5-dimethyldibenzothiophen-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine (CID 167285468) is N-(5,5-dimethyldibenzothiophen-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(5,5-dimethyldibenzothiophen-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(5,5-dimethyldibenzothiophen-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine is CS1(C)c2ccccc2-c2c(N(c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)cccc21.
What is the InChIKey of N-(5,5-dimethyldibenzothiophen-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is SOKQZYJBBOPACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37NOS/c1-53(2)46-32-14-12-25-41(46)49-43(29-17-33-47(49)53)51(44-30-16-27-40-38-23-11-13-31-45(38)52-50(40)44)42-28-15-26-37(35-20-7-4-8-21-35)48(42)39-24-10-9-22-36(39)34-18-5-3-6-19-34/h3-33H,1-2H3.
What are the key properties of N-(5,5-dimethyldibenzothiophen-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine?
N-(5,5-dimethyldibenzothiophen-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 699.92 g/mol, XLogP of 14.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyldibenzothiophen-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 167285468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).