N-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine

C52H33NOS — CID 177281313

IUPACN-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc4sc5ccccc5c4c3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C52H33NOS/c1-2-11-34(12-3-1)36-23-27-40(28-24-36)53(41-29-25-37(26-30-41)42-17-10-19-47-51(42)43-15-6-8-18-46(43)54-47)45-31-32-49-52(44-16-7-9-20-48(44)55-49)50(45)39-22-21-35-13-4-5-14-38(35)33-39/h1-33H
InChIKeyDLAQASYJFOOTKE-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine

N-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 177281313) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID177281313
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc4sc5ccccc5c4c3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C52H33NOS/c1-2-11-34(12-3-1)36-23-27-40(28-24-36)53(41-29-25-37(26-30-41)42-17-10-19-47-51(42)43-15-6-8-18-46(43)54-47)45-31-32-49-52(44-16-7-9-20-48(44)55-49)50(45)39-22-21-35-13-4-5-14-38(35)33-39/h1-33H
InChIKeyDLAQASYJFOOTKE-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

4-(6-dibenzofuran-3-ylnaphthalen-2-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835642
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186790
N-(4-naphthalen-2-ylphenyl)-1-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 177280898
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 168847999
1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176854014
N,N-bis(4-naphthalen-2-ylphenyl)-2-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)aniline;2-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 165101674
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325717
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566303
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenylaniline
CID 166565631
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159820333
1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177281230
N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435301

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine (CID 177281313) is N-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc4sc5ccccc5c4c3-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is DLAQASYJFOOTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-11-34(12-3-1)36-23-27-40(28-24-36)53(41-29-25-37(26-30-41)42-17-10-19-47-51(42)43-15-6-8-18-46(43)54-47)45-31-32-49-52(44-16-7-9-20-48(44)55-49)50(45)39-22-21-35-13-4-5-14-38(35)33-39/h1-33H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine?
N-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-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-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 177281313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).