N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine

C68H43NOS — CID 168847999

IUPACN-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3sc4ccccc4c23)c(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)cc2)c1
InChIInChI=1S/C68H43NOS/c1-2-15-50-43-51(32-31-44(50)13-1)47-29-27-45(28-30-47)46-33-37-52(38-34-46)69(62-42-41-59(57-22-11-16-48-14-3-4-17-54(48)57)68-67(62)60-20-7-9-24-63(60)70-68)53-39-35-49(36-40-53)55-18-5-6-19-56(55)58-23-12-26-65-66(58)61-21-8-10-25-64(61)71-65/h1-43H
InChIKeyZEGZGCICFPNSNG-UHFFFAOYSA-N
MW922.17 g/mol
LogP20.07
Rot. Bonds8

About N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine

N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 168847999) has the molecular formula C68H43NOS and a molecular weight of 922.17 g/mol. Its IUPAC name is N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID168847999
Molecular FormulaC68H43NOS
Molecular Weight922.17 g/mol
Exact Mass921.31
IUPAC NameN-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3sc4ccccc4c23)c(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)cc2)c1
InChIInChI=1S/C68H43NOS/c1-2-15-50-43-51(32-31-44(50)13-1)47-29-27-45(28-30-47)46-33-37-52(38-34-46)69(62-42-41-59(57-22-11-16-48-14-3-4-17-54(48)57)68-67(62)60-20-7-9-24-63(60)70-68)53-39-35-49(36-40-53)55-18-5-6-19-56(55)58-23-12-26-65-66(58)61-21-8-10-25-64(61)71-65/h1-43H
InChIKeyZEGZGCICFPNSNG-UHFFFAOYSA-N
XLogP20.07
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.17
LogP ≤ 520.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847874
N-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 176821102
N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069291
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847972
N-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820966
N-(4-dibenzothiophen-1-ylphenyl)-N-phenanthren-3-yl-4-phenyldibenzofuran-1-amine
CID 176820910
4-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069895
N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738192
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848047
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzofuran-1-amine
CID 168847734
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168848092

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine (CID 168847999) is N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2cccc3sc4ccccc4c23)c(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)cc2)c1.
What is the InChIKey of N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is ZEGZGCICFPNSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NOS/c1-2-15-50-43-51(32-31-44(50)13-1)47-29-27-45(28-30-47)46-33-37-52(38-34-46)69(62-42-41-59(57-22-11-16-48-14-3-4-17-54(48)57)68-67(62)60-20-7-9-24-63(60)70-68)53-39-35-49(36-40-53)55-18-5-6-19-56(55)58-23-12-26-65-66(58)61-21-8-10-25-64(61)71-65/h1-43H.
What are the key properties of N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine?
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 922.17 g/mol, XLogP of 20.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 168847999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).