N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine

C52H33NOS — CID 163507198

IUPACN-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C52H33NOS/c1-2-11-34(12-3-1)37-14-8-15-38(31-37)35-23-26-40(27-24-35)53(42-28-30-46-45-19-6-7-22-49(45)55-50(46)33-42)41-17-9-16-39(32-41)43-20-10-21-48-51(43)47-29-25-36-13-4-5-18-44(36)52(47)54-48/h1-33H
InChIKeyCZNPLUMZUPYNQD-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine

N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine (PubChem CID 163507198) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
PubChem CID163507198
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C52H33NOS/c1-2-11-34(12-3-1)37-14-8-15-38(31-37)35-23-26-40(27-24-35)53(42-28-30-46-45-19-6-7-22-49(45)55-50(46)33-42)41-17-9-16-39(32-41)43-20-10-21-48-51(43)47-29-25-36-13-4-5-18-44(36)52(47)54-48/h1-33H
InChIKeyCZNPLUMZUPYNQD-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

N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 167331126
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 163799851
3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167329579
N-(4-dibenzothiophen-2-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)aniline
CID 167331407
N-(4-dibenzothiophen-3-ylphenyl)-3-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 167329347
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 166938900
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330248
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 167329645
3-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939164
N-(3-naphthalen-2-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine
CID 166939608
3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166939687
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939002

Frequently Asked Questions

What is the IUPAC name of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine (CID 163507198) is N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine is c1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1.
What is the InChIKey of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The InChIKey is CZNPLUMZUPYNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-11-34(12-3-1)37-14-8-15-38(31-37)35-23-26-40(27-24-35)53(42-28-30-46-45-19-6-7-22-49(45)55-50(46)33-42)41-17-9-16-39(32-41)43-20-10-21-48-51(43)47-29-25-36-13-4-5-18-44(36)52(47)54-48/h1-33H.
What are the key properties of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine?
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-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-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 163507198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).