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

C40H25NOS — CID 163775323

IUPACN-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc2cc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5oc6ccccc6c45)cc3)ccc2c1
InChIInChI=1S/C40H25NOS/c1-2-10-28-25-29(20-19-26(28)9-1)27-21-23-30(24-22-27)41(34-14-8-17-37-39(34)33-12-3-5-16-36(33)42-37)35-15-7-13-32-31-11-4-6-18-38(31)43-40(32)35/h1-25H
InChIKeyONCHMUMVWNXQEH-UHFFFAOYSA-N
MW567.71 g/mol
LogP12.24
Rot. Bonds4

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

N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine (PubChem CID 163775323) has the molecular formula C40H25NOS and a molecular weight of 567.71 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
PubChem CID163775323
Molecular FormulaC40H25NOS
Molecular Weight567.71 g/mol
Exact Mass567.17
IUPAC NameN-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc2cc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5oc6ccccc6c45)cc3)ccc2c1
InChIInChI=1S/C40H25NOS/c1-2-10-28-25-29(20-19-26(28)9-1)27-21-23-30(24-22-27)41(34-14-8-17-37-39(34)33-12-3-5-16-36(33)42-37)35-15-7-13-32-31-11-4-6-18-38(31)43-40(32)35/h1-25H
InChIKeyONCHMUMVWNXQEH-UHFFFAOYSA-N
XLogP12.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.71
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-4-yl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605749
N-dibenzothiophen-4-yl-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 166566035
N-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 163686453
N-dibenzothiophen-4-yl-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 164952492
N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 167325122
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 170031914
1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine
CID 158546525
N-dibenzothiophen-4-yl-N-(4-phenanthren-2-ylphenyl)dibenzothiophen-4-amine
CID 138718885
N-dibenzothiophen-4-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236480
N-(4-dibenzofuran-2-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)dibenzothiophen-4-amine
CID 174291189
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155187018

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine (CID 163775323) is N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine is c1ccc2cc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5oc6ccccc6c45)cc3)ccc2c1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The InChIKey is ONCHMUMVWNXQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NOS/c1-2-10-28-25-29(20-19-26(28)9-1)27-21-23-30(24-22-27)41(34-14-8-17-37-39(34)33-12-3-5-16-36(33)42-37)35-15-7-13-32-31-11-4-6-18-38(31)43-40(32)35/h1-25H.
What are the key properties of N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine has a molecular weight of 567.71 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 163775323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).