N-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]dibenzofuran-3-amine

C49H28N2O2S2 — CID 171455958

IUPACN-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2nc3c(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc4)c4sc5ccccc5c4cc3s2)cc1
InChIInChI=1S/C49H28N2O2S2/c1-2-10-30(11-3-1)49-50-47-45(55-49)28-39-38-14-6-9-17-44(38)54-48(39)46(47)29-18-20-31(21-19-29)51(32-22-24-36-34-12-4-7-15-40(34)52-42(36)26-32)33-23-25-37-35-13-5-8-16-41(35)53-43(37)27-33/h1-28H
InChIKeyFHKOWWXZXJQVOJ-UHFFFAOYSA-N
MW740.91 g/mol
LogP15.27
Rot. Bonds5

About N-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]dibenzofuran-3-amine

N-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]dibenzofuran-3-amine (PubChem CID 171455958) has the molecular formula C49H28N2O2S2 and a molecular weight of 740.91 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]dibenzofuran-3-amine
PubChem CID171455958
Molecular FormulaC49H28N2O2S2
Molecular Weight740.91 g/mol
Exact Mass740.16
IUPAC NameN-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2nc3c(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc4)c4sc5ccccc5c4cc3s2)cc1
InChIInChI=1S/C49H28N2O2S2/c1-2-10-30(11-3-1)49-50-47-45(55-49)28-39-38-14-6-9-17-44(38)54-48(39)46(47)29-18-20-31(21-19-29)51(32-22-24-36-34-12-4-7-15-40(34)52-42(36)26-32)33-23-25-37-35-13-5-8-16-41(35)53-43(37)27-33/h1-28H
InChIKeyFHKOWWXZXJQVOJ-UHFFFAOYSA-N
XLogP15.27
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-3-amine
CID 171456571
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-yl)phenyl]dibenzofuran-3-amine
CID 171411363
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine
CID 163891092
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
N-(4-dibenzofuran-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167124225
N-[4-(2-phenyl-1,3-benzothiazol-6-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 163587256
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
CID 171411564
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167123376
N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine
CID 171411304
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzoxazol-5-yl)phenyl]dibenzofuran-3-amine
CID 171411740

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]dibenzofuran-3-amine (CID 171455958) is N-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2nc3c(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc4)c4sc5ccccc5c4cc3s2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is FHKOWWXZXJQVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N2O2S2/c1-2-10-30(11-3-1)49-50-47-45(55-49)28-39-38-14-6-9-17-44(38)54-48(39)46(47)29-18-20-31(21-19-29)51(32-22-24-36-34-12-4-7-15-40(34)52-42(36)26-32)33-23-25-37-35-13-5-8-16-41(35)53-43(37)27-33/h1-28H.
What are the key properties of N-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]dibenzofuran-3-amine?
N-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 740.91 g/mol, XLogP of 15.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-10-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 171455958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).