N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine

C40H25NOS — CID 170032563

IUPACN-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cc4ccccc4c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C40H25NOS/c1-2-10-26(11-3-1)27-18-20-29(21-19-27)41(30-22-23-38-34(25-30)32-14-7-9-17-37(32)43-38)35-24-28-12-4-5-13-31(28)39-33-15-6-8-16-36(33)42-40(35)39/h1-25H
InChIKeyZTYZDJMIBBMTHU-UHFFFAOYSA-N
MW567.71 g/mol
LogP12.24
Rot. Bonds4

About N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine

N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine (PubChem CID 170032563) has the molecular formula C40H25NOS and a molecular weight of 567.71 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine
PubChem CID170032563
Molecular FormulaC40H25NOS
Molecular Weight567.71 g/mol
Exact Mass567.17
IUPAC NameN-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cc4ccccc4c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C40H25NOS/c1-2-10-26(11-3-1)27-18-20-29(21-19-27)41(30-22-23-38-34(25-30)32-14-7-9-17-37(32)43-38)35-24-28-12-4-5-13-31(28)39-33-15-6-8-16-36(33)42-40(35)39/h1-25H
InChIKeyZTYZDJMIBBMTHU-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-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine
CID 168809799
4-N-dibenzothiophen-2-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,4-diamine
CID 170043743
6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine
CID 167208628
N-(4-dibenzothiophen-4-ylphenyl)-N-phenanthren-3-ylnaphtho[2,1-b][1]benzofuran-6-amine
CID 168809658
N,N-bis(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 161198393
N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-3-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 160677532
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820649
N-dibenzothiophen-2-yl-2-[dibenzothiophen-2-yl-(4-phenylphenyl)methyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138747013
N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 171435354
N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171434776
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine
CID 170032426
N-dibenzothiophen-3-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069315

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine (CID 170032563) is N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine is c1ccc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cc4ccccc4c4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine?
The InChIKey is ZTYZDJMIBBMTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NOS/c1-2-10-26(11-3-1)27-18-20-29(21-19-27)41(30-22-23-38-34(25-30)32-14-7-9-17-37(32)43-38)35-24-28-12-4-5-13-31(28)39-33-15-6-8-16-36(33)42-40(35)39/h1-25H.
What are the key properties of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine?
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-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-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine is sourced from PubChem (CID 170032563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).