N-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine

C40H25NOS — CID 167402199

IUPACN-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2cccc3c2oc2c4ccccc4c(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc32)cc1
InChIInChI=1S/C40H25NOS/c1-3-13-26(14-4-1)28-20-11-21-32-34-25-36(29-17-7-8-19-31(29)39(34)42-38(28)32)41(27-15-5-2-6-16-27)35-23-12-22-33-30-18-9-10-24-37(30)43-40(33)35/h1-25H
InChIKeySFYGXTQKEFFDGQ-UHFFFAOYSA-N
MW567.71 g/mol
LogP12.24
Rot. Bonds4

About N-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine

N-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 167402199) has the molecular formula C40H25NOS and a molecular weight of 567.71 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
PubChem CID167402199
Molecular FormulaC40H25NOS
Molecular Weight567.71 g/mol
Exact Mass567.17
IUPAC NameN-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2cccc3c2oc2c4ccccc4c(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc32)cc1
InChIInChI=1S/C40H25NOS/c1-3-13-26(14-4-1)28-20-11-21-32-34-25-36(29-17-7-8-19-31(29)39(34)42-38(28)32)41(27-15-5-2-6-16-27)35-23-12-22-33-30-18-9-10-24-37(30)43-40(33)35/h1-25H
InChIKeySFYGXTQKEFFDGQ-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-dibenzothiophen-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396325
N-(4-dibenzofuran-1-ylphenyl)-N-dibenzothiophen-4-yl-6-phenyldibenzofuran-4-amine
CID 167397291
N-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 167143477
N-dibenzothiophen-4-yl-5-naphthalen-1-yl-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167252451
N-[2,6-dideuterio-3-phenyl-4-(6-phenyldibenzofuran-4-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 159263634
N-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396254
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396991
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
CID 167402936
N-dibenzothiophen-4-yl-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170239541
4-dibenzothiophen-1-yl-N-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402076
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 168804932

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine (CID 167402199) is N-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine is c1ccc(-c2cccc3c2oc2c4ccccc4c(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc32)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is SFYGXTQKEFFDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NOS/c1-3-13-26(14-4-1)28-20-11-21-32-34-25-36(29-17-7-8-19-31(29)39(34)42-38(28)32)41(27-15-5-2-6-16-27)35-23-12-22-33-30-18-9-10-24-37(30)43-40(33)35/h1-25H.
What are the key properties of N-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine?
N-dibenzothiophen-4-yl-N,10-diphenylnaphtho[1,2-b][1]benzofuran-5-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,10-diphenylnaphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 167402199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).