N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine

C46H29NOS — CID 171435226

IUPACN-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3oc3ccccc34)c3ccc(-c4ccccc4)c4c3sc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C46H29NOS/c1-3-14-30(15-4-1)32-26-28-39(35-19-8-7-18-34(32)35)47(40-23-13-22-37-36-20-9-11-24-42(36)48-45(37)40)41-29-27-33(31-16-5-2-6-17-31)44-38-21-10-12-25-43(38)49-46(41)44/h1-29H
InChIKeyJUOXBQXCAUANBZ-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

About N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine

N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine (PubChem CID 171435226) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
PubChem CID171435226
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3oc3ccccc34)c3ccc(-c4ccccc4)c4c3sc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C46H29NOS/c1-3-14-30(15-4-1)32-26-28-39(35-19-8-7-18-34(32)35)47(40-23-13-22-37-36-20-9-11-24-42(36)48-45(37)40)41-29-27-33(31-16-5-2-6-17-31)44-38-21-10-12-25-43(38)49-46(41)44/h1-29H
InChIKeyJUOXBQXCAUANBZ-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-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435266
N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086567
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine
CID 171435150
N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434894
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 90263491
6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-6,11-diamine
CID 130387492
N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-1-phenyldibenzofuran-4-amine
CID 171434692
N-dibenzothiophen-4-yl-N-phenanthren-9-yl-1-phenyldibenzofuran-4-amine
CID 171434504
N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 171435319
1-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 168804602
N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 171435113

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine?
The IUPAC name of N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine (CID 171435226) is N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3cccc4c3oc3ccccc34)c3ccc(-c4ccccc4)c4c3sc3ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine?
The InChIKey is JUOXBQXCAUANBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-3-14-30(15-4-1)32-26-28-39(35-19-8-7-18-34(32)35)47(40-23-13-22-37-36-20-9-11-24-42(36)48-45(37)40)41-29-27-33(31-16-5-2-6-17-31)44-38-21-10-12-25-43(38)49-46(41)44/h1-29H.
What are the key properties of N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine?
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-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-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine is sourced from PubChem (CID 171435226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).