N-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

C62H39NOS — CID 167252451

IUPACN-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4sc4ccccc45)c4oc5c6ccccc6c(-c6cccc7ccccc67)cc5c4c3)cc2)cc1
InChIInChI=1S/C62H39NOS/c1-3-15-40(16-4-1)42-29-31-44(32-30-42)46-37-55-56-39-54(49-25-13-20-45-19-7-8-21-48(45)49)50-22-9-10-24-52(50)60(56)64-61(55)58(38-46)63(47-35-33-43(34-36-47)41-17-5-2-6-18-41)57-27-14-26-53-51-23-11-12-28-59(51)65-62(53)57/h1-39H
InChIKeyZZAWCRJDUBTTNB-UHFFFAOYSA-N
MW846.07 g/mol
LogP18.40
Rot. Bonds7

About N-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

N-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 167252451) has the molecular formula C62H39NOS and a molecular weight of 846.07 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID167252451
Molecular FormulaC62H39NOS
Molecular Weight846.07 g/mol
Exact Mass845.28
IUPAC NameN-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4sc4ccccc45)c4oc5c6ccccc6c(-c6cccc7ccccc67)cc5c4c3)cc2)cc1
InChIInChI=1S/C62H39NOS/c1-3-15-40(16-4-1)42-29-31-44(32-30-42)46-37-55-56-39-54(49-25-13-20-45-19-7-8-21-48(45)49)50-22-9-10-24-52(50)60(56)64-61(55)58(38-46)63(47-35-33-43(34-36-47)41-17-5-2-6-18-41)57-27-14-26-53-51-23-11-12-28-59(51)65-62(53)57/h1-39H
InChIKeyZZAWCRJDUBTTNB-UHFFFAOYSA-N
XLogP18.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.07
LogP ≤ 518.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-[8-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-4-phenylanilino)-6-phenylbenzenethiol
CID 170675417
N-dibenzothiophen-4-yl-9-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170675281
N-dibenzothiophen-4-yl-10-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170243061
N-dibenzothiophen-4-yl-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170239541
N-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 167402199
N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069412
N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170239260
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617
N-dibenzothiophen-4-yl-8-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675043
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718869
N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675705
N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 140919317

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (CID 167252451) is N-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is c1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4sc4ccccc45)c4oc5c6ccccc6c(-c6cccc7ccccc67)cc5c4c3)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is ZZAWCRJDUBTTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NOS/c1-3-15-40(16-4-1)42-29-31-44(32-30-42)46-37-55-56-39-54(49-25-13-20-45-19-7-8-21-48(45)49)50-22-9-10-24-52(50)60(56)64-61(55)58(38-46)63(47-35-33-43(34-36-47)41-17-5-2-6-18-41)57-27-14-26-53-51-23-11-12-28-59(51)65-62(53)57/h1-39H.
What are the key properties of N-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
N-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 846.07 g/mol, XLogP of 18.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 167252451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).