N-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine

C60H37NOS — CID 167396362

IUPACN-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(ccc6cc(-c7cccc8c7sc7ccccc78)ccc65)c4)cccc23)cc1
InChIInChI=1S/C60H37NOS/c1-2-12-39(13-3-1)50-19-9-21-53-54-22-11-24-56(59(54)62-58(50)53)61(44-31-28-40(29-32-44)47-18-8-15-38-14-4-5-16-46(38)47)45-33-35-49-43(37-45)27-26-41-36-42(30-34-48(41)49)51-20-10-23-55-52-17-6-7-25-57(52)63-60(51)55/h1-37H
InChIKeyXNWCXXFAEFAUJQ-UHFFFAOYSA-N
MW820.03 g/mol
LogP17.88
Rot. Bonds6

About N-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine

N-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine (PubChem CID 167396362) has the molecular formula C60H37NOS and a molecular weight of 820.03 g/mol. Its IUPAC name is N-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine
PubChem CID167396362
Molecular FormulaC60H37NOS
Molecular Weight820.03 g/mol
Exact Mass819.26
IUPAC NameN-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(ccc6cc(-c7cccc8c7sc7ccccc78)ccc65)c4)cccc23)cc1
InChIInChI=1S/C60H37NOS/c1-2-12-39(13-3-1)50-19-9-21-53-54-22-11-24-56(59(54)62-58(50)53)61(44-31-28-40(29-32-44)47-18-8-15-38-14-4-5-16-46(38)47)45-33-35-49-43(37-45)27-26-41-36-42(30-34-48(41)49)51-20-10-23-55-52-17-6-7-25-57(52)63-60(51)55/h1-37H
InChIKeyXNWCXXFAEFAUJQ-UHFFFAOYSA-N
XLogP17.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.03
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396254
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 158802733
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 161255866
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(7-phenylnaphthalen-1-yl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(7-phenylnaphthalen-1-yl)dibenzothiophen-4-amine;6-phenyl-N-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine;6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 158016465
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine
CID 121296621
N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 167397227
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159541648
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-(4-phenylphenyl)aniline
CID 158744842
N-(4-naphthalen-1-ylphenyl)-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605660
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397362
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
N-(4-dibenzothiophen-4-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine
CID 168809661

Frequently Asked Questions

What is the IUPAC name of N-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine?
The IUPAC name of N-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine (CID 167396362) is N-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine?
The canonical SMILES for N-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine is c1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(ccc6cc(-c7cccc8c7sc7ccccc78)ccc65)c4)cccc23)cc1.
What is the InChIKey of N-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine?
The InChIKey is XNWCXXFAEFAUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NOS/c1-2-12-39(13-3-1)50-19-9-21-53-54-22-11-24-56(59(54)62-58(50)53)61(44-31-28-40(29-32-44)47-18-8-15-38-14-4-5-16-46(38)47)45-33-35-49-43(37-45)27-26-41-36-42(30-34-48(41)49)51-20-10-23-55-52-17-6-7-25-57(52)63-60(51)55/h1-37H.
What are the key properties of N-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine?
N-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine has a molecular weight of 820.03 g/mol, XLogP of 17.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-dibenzothiophen-4-ylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzofuran-4-amine is sourced from PubChem (CID 167396362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).