N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine

C40H25NOS — CID 90263491

IUPACN-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccccc2N(c2cc3c4ccccc4sc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C40H25NOS/c1-2-13-26(14-3-1)27-15-6-9-21-34(27)41(35-22-12-20-31-29-17-7-10-23-37(29)42-39(31)35)36-25-33-30-18-8-11-24-38(30)43-40(33)32-19-5-4-16-28(32)36/h1-25H
InChIKeyAUIQFNSQRRZXJU-UHFFFAOYSA-N
MW567.71 g/mol
LogP12.24
Rot. Bonds4

About N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine

N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine (PubChem CID 90263491) has the molecular formula C40H25NOS and a molecular weight of 567.71 g/mol. Its IUPAC name is N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine
PubChem CID90263491
Molecular FormulaC40H25NOS
Molecular Weight567.71 g/mol
Exact Mass567.17
IUPAC NameN-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccccc2N(c2cc3c4ccccc4sc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C40H25NOS/c1-2-13-26(14-3-1)27-15-6-9-21-34(27)41(35-22-12-20-31-29-17-7-10-23-37(29)42-39(31)35)36-25-33-30-18-8-11-24-38(30)43-40(33)32-19-5-4-16-28(32)36/h1-25H
InChIKeyAUIQFNSQRRZXJU-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-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086567
N-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172502800
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
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-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397265
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 171435226
N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168788865
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 163499042
N-(2-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 167326338
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 164971694

Frequently Asked Questions

What is the IUPAC name of N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine (CID 90263491) is N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccccc2N(c2cc3c4ccccc4sc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is AUIQFNSQRRZXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NOS/c1-2-13-26(14-3-1)27-15-6-9-21-34(27)41(35-22-12-20-31-29-17-7-10-23-37(29)42-39(31)35)36-25-33-30-18-8-11-24-38(30)43-40(33)32-19-5-4-16-28(32)36/h1-25H.
What are the key properties of N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine?
N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-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-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 90263491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).