N-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine

C46H29NOS — CID 170675645

IUPACN-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3cc4c(cc3-c3ccccc3)oc3cc5ccccc5cc34)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C46H29NOS/c1-3-12-30(13-4-1)31-22-24-35(25-23-31)47(41-20-11-19-37-36-18-9-10-21-45(36)49-46(37)41)42-28-40-39-26-33-16-7-8-17-34(33)27-43(39)48-44(40)29-38(42)32-14-5-2-6-15-32/h1-29H
InChIKeyUECUQMCQZPLERU-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

About N-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine

N-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 170675645) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
PubChem CID170675645
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3cc4c(cc3-c3ccccc3)oc3cc5ccccc5cc34)c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C46H29NOS/c1-3-12-30(13-4-1)31-22-24-35(25-23-31)47(41-20-11-19-37-36-18-9-10-21-45(36)49-46(37)41)42-28-40-39-26-33-16-7-8-17-34(33)27-43(39)48-44(40)29-38(42)32-14-5-2-6-15-32/h1-29H
InChIKeyUECUQMCQZPLERU-UHFFFAOYSA-N
XLogP13.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.81
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-4-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 170240005
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-1-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 170675390
N-dibenzothiophen-4-yl-4-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 170240129
N-dibenzothiophen-4-yl-8-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675043
N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine
CID 174291189
N,N-bis(4-naphthalen-1-ylphenyl)-8-phenylphenanthren-1-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzothiophen-4-amine;N-(4-naphthalen-1-ylphenyl)-8-phenyl-N-(4-phenylphenyl)phenanthren-1-amine
CID 157163450
N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 155133247
N-[3-[17-[3-(N-dibenzothiophen-4-ylanilino)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-yl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147686983
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 170675331
N-(4-dibenzofuran-1-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine
CID 167234327
N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155122859

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of N-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine (CID 170675645) is N-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine is c1ccc(-c2ccc(N(c3cc4c(cc3-c3ccccc3)oc3cc5ccccc5cc34)c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is UECUQMCQZPLERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-3-12-30(13-4-1)31-22-24-35(25-23-31)47(41-20-11-19-37-36-18-9-10-21-45(36)49-46(37)41)42-28-40-39-26-33-16-7-8-17-34(33)27-43(39)48-44(40)29-38(42)32-14-5-2-6-15-32/h1-29H.
What are the key properties of N-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
N-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine has a molecular weight of 643.81 g/mol, XLogP of 13.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-3-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 170675645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).