N-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine

C49H29N3O2S — CID 170395912

IUPACN-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2nc3ccc4oc5c(N(c6ccc7sc8ccccc8c7c6)c6cccc7c6c6ccccc6n7-c6ccccc6)cccc5c4c3o2)cc1
InChIInChI=1S/C49H29N3O2S/c1-3-13-30(14-4-1)49-50-37-26-27-42-46(48(37)54-49)35-19-11-23-41(47(35)53-42)52(32-25-28-44-36(29-32)33-17-8-10-24-43(33)55-44)40-22-12-21-39-45(40)34-18-7-9-20-38(34)51(39)31-15-5-2-6-16-31/h1-29H
InChIKeySXOMKONRLZJODT-UHFFFAOYSA-N
MW723.86 g/mol
LogP14.33
Rot. Bonds5

About N-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine

N-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine (PubChem CID 170395912) has the molecular formula C49H29N3O2S and a molecular weight of 723.86 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine
PubChem CID170395912
Molecular FormulaC49H29N3O2S
Molecular Weight723.86 g/mol
Exact Mass723.20
IUPAC NameN-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2nc3ccc4oc5c(N(c6ccc7sc8ccccc8c7c6)c6cccc7c6c6ccccc6n7-c6ccccc6)cccc5c4c3o2)cc1
InChIInChI=1S/C49H29N3O2S/c1-3-13-30(14-4-1)49-50-37-26-27-42-46(48(37)54-49)35-19-11-23-41(47(35)53-42)52(32-25-28-44-36(29-32)33-17-8-10-24-43(33)55-44)40-22-12-21-39-45(40)34-18-7-9-20-38(34)51(39)31-15-5-2-6-16-31/h1-29H
InChIKeySXOMKONRLZJODT-UHFFFAOYSA-N
XLogP14.33
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.86
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124376
2-phenyl-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124431
2-phenyl-N-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167123428
N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
CID 167130023
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124467
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
CID 170395497
N-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123316
N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167125302
N-(4-dibenzothiophen-3-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-4-amine
CID 177122068
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123993
N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167125219
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738145

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine?
The IUPAC name of N-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine (CID 170395912) is N-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine is c1ccc(-c2nc3ccc4oc5c(N(c6ccc7sc8ccccc8c7c6)c6cccc7c6c6ccccc6n7-c6ccccc6)cccc5c4c3o2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine?
The InChIKey is SXOMKONRLZJODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2S/c1-3-13-30(14-4-1)49-50-37-26-27-42-46(48(37)54-49)35-19-11-23-41(47(35)53-42)52(32-25-28-44-36(29-32)33-17-8-10-24-43(33)55-44)40-22-12-21-39-45(40)34-18-7-9-20-38(34)51(39)31-15-5-2-6-16-31/h1-29H.
What are the key properties of N-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine?
N-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine has a molecular weight of 723.86 g/mol, XLogP of 14.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine is sourced from PubChem (CID 170395912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).