N-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine

C49H29N3O2S — CID 167123312

IUPACN-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3c(ccc4oc5cc(N(c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c6cccc7c6sc6ccccc67)ccc5c43)o2)cc1
InChIInChI=1S/C49H29N3O2S/c1-3-12-30(13-4-1)49-50-47-43(54-49)27-26-42-46(47)38-25-23-33(29-44(38)53-42)51(40-20-11-18-37-36-17-8-10-21-45(36)55-48(37)40)32-22-24-35-34-16-7-9-19-39(34)52(41(35)28-32)31-14-5-2-6-15-31/h1-29H
InChIKeyMZDLVXBGCLBDCJ-UHFFFAOYSA-N
MW723.86 g/mol
LogP14.33
Rot. Bonds5

About N-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine

N-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine (PubChem CID 167123312) has the molecular formula C49H29N3O2S and a molecular weight of 723.86 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
PubChem CID167123312
Molecular FormulaC49H29N3O2S
Molecular Weight723.86 g/mol
Exact Mass723.20
IUPAC NameN-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3c(ccc4oc5cc(N(c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c6cccc7c6sc6ccccc67)ccc5c43)o2)cc1
InChIInChI=1S/C49H29N3O2S/c1-3-12-30(13-4-1)49-50-47-43(54-49)27-26-42-46(47)38-25-23-33(29-44(38)53-42)51(40-20-11-18-37-36-17-8-10-21-45(36)55-48(37)40)32-22-24-35-34-16-7-9-19-39(34)52(41(35)28-32)31-14-5-2-6-15-31/h1-29H
InChIKeyMZDLVXBGCLBDCJ-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-4-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123316
N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123209
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167125018
N-(5-dibenzofuran-1-ylnaphthalen-1-yl)-N-dibenzothiophen-4-yl-9-phenylcarbazol-2-amine
CID 168814345
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167125034
2-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-8-amine
CID 170025266
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123941
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 167124929
N-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine
CID 170424843
N,9-diphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine
CID 170395939
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814389
N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 170028823

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
The IUPAC name of N-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine (CID 167123312) is N-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine is c1ccc(-c2nc3c(ccc4oc5cc(N(c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c6cccc7c6sc6ccccc67)ccc5c43)o2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
The InChIKey is MZDLVXBGCLBDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2S/c1-3-12-30(13-4-1)49-50-47-43(54-49)27-26-42-46(47)38-25-23-33(29-44(38)53-42)51(40-20-11-18-37-36-17-8-10-21-45(36)55-48(37)40)32-22-24-35-34-16-7-9-19-39(34)52(41(35)28-32)31-14-5-2-6-15-31/h1-29H.
What are the key properties of N-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
N-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-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-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine is sourced from PubChem (CID 167123312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).