N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine

C52H33NOS — CID 171435473

IUPACN-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc3c(sc4ccccc43)c2N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C52H33NOS/c1-2-11-38(12-3-1)43-30-31-47-46-15-7-9-17-50(46)55-52(47)51(43)53(42-28-29-45-44-14-6-8-16-48(44)54-49(45)33-42)41-26-24-36(25-27-41)35-18-20-37(21-19-35)40-23-22-34-10-4-5-13-39(34)32-40/h1-33H
InChIKeyTZJRMVFPJVMPDT-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine

N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine (PubChem CID 171435473) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
PubChem CID171435473
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc3c(sc4ccccc43)c2N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C52H33NOS/c1-2-11-38(12-3-1)43-30-31-47-46-15-7-9-17-50(46)55-52(47)51(43)53(42-28-29-45-44-14-6-8-16-48(44)54-49(45)33-42)41-26-24-36(25-27-41)35-18-20-37(21-19-35)40-23-22-34-10-4-5-13-39(34)32-40/h1-33H
InChIKeyTZJRMVFPJVMPDT-UHFFFAOYSA-N
XLogP15.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-3-phenyldibenzothiophen-4-amine
CID 171435403
N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 171435219
N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine
CID 171434947
N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 161239323
N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine
CID 171435439
N-(3-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 171434810
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzothiophen-4-amine
CID 171435299
3-(1,3-benzoxazol-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 171754411
N-dibenzothiophen-4-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 171435177
N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 158454891
N-dibenzothiophen-4-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236480
7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 158872648

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine?
The IUPAC name of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine (CID 171435473) is N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine?
The canonical SMILES for N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine is c1ccc(-c2ccc3c(sc4ccccc43)c2N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine?
The InChIKey is TZJRMVFPJVMPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-11-38(12-3-1)43-30-31-47-46-15-7-9-17-50(46)55-52(47)51(43)53(42-28-29-45-44-14-6-8-16-48(44)54-49(45)33-42)41-26-24-36(25-27-41)35-18-20-37(21-19-35)40-23-22-34-10-4-5-13-39(34)32-40/h1-33H.
What are the key properties of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine?
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine has a molecular weight of 719.91 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine is sourced from PubChem (CID 171435473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).