N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine

C47H28N2O2S — CID 167123381

IUPACN-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
SMILESc1ccc(-c2nc3c(ccc4oc5cc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7c6oc6ccccc67)ccc5c43)s2)cc1
InChIInChI=1S/C47H28N2O2S/c1-2-11-31(12-3-1)47-48-45-43(52-47)27-26-41-44(45)38-25-24-33(28-42(38)50-41)49(39-18-9-17-37-36-15-6-7-19-40(36)51-46(37)39)32-22-20-30(21-23-32)35-16-8-13-29-10-4-5-14-34(29)35/h1-28H
InChIKeyACQPEIQBEOETCC-UHFFFAOYSA-N
MW684.82 g/mol
LogP14.05
Rot. Bonds5

About N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine

N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine (PubChem CID 167123381) has the molecular formula C47H28N2O2S and a molecular weight of 684.82 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
PubChem CID167123381
Molecular FormulaC47H28N2O2S
Molecular Weight684.82 g/mol
Exact Mass684.19
IUPAC NameN-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
SMILESc1ccc(-c2nc3c(ccc4oc5cc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7c6oc6ccccc67)ccc5c43)s2)cc1
InChIInChI=1S/C47H28N2O2S/c1-2-11-31(12-3-1)47-48-45-43(52-47)27-26-41-44(45)38-25-24-33(28-42(38)50-41)49(39-18-9-17-37-36-15-6-7-19-40(36)51-46(37)39)32-22-20-30(21-23-32)35-16-8-13-29-10-4-5-14-34(29)35/h1-28H
InChIKeyACQPEIQBEOETCC-UHFFFAOYSA-N
XLogP14.05
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.82
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167123376
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-yl)phenyl]dibenzofuran-2-amine
CID 167124136
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-4-amine
CID 167124911
N-(4-dibenzofuran-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167124225
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-7-amine
CID 167124268
N,N-bis(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-8-amine
CID 167129483
N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164998659
N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
CID 167125100
N-dibenzofuran-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine;N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 158642581
N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine
CID 167397702
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170535179
N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 122592278

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine (CID 167123381) is N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine is c1ccc(-c2nc3c(ccc4oc5cc(N(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7c6oc6ccccc67)ccc5c43)s2)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine?
The InChIKey is ACQPEIQBEOETCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O2S/c1-2-11-31(12-3-1)47-48-45-43(52-47)27-26-41-44(45)38-25-24-33(28-42(38)50-41)49(39-18-9-17-37-36-15-6-7-19-40(36)51-46(37)39)32-22-20-30(21-23-32)35-16-8-13-29-10-4-5-14-34(29)35/h1-28H.
What are the key properties of N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine?
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine has a molecular weight of 684.82 g/mol, XLogP of 14.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine is sourced from PubChem (CID 167123381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).