N-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine

C53H33N3O2 — CID 170424843

IUPACN-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2nc3c(ccc4cccc(-c5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)c43)o2)cc1
InChIInChI=1S/C53H33N3O2/c1-3-12-36(13-4-1)53-54-52-49(58-53)31-24-35-14-11-19-41(51(35)52)34-22-25-38(26-23-34)55(40-28-30-45-44-18-8-10-21-48(44)57-50(45)33-40)39-27-29-43-42-17-7-9-20-46(42)56(47(43)32-39)37-15-5-2-6-16-37/h1-33H
InChIKeyVNCDXAIDCYIMNJ-UHFFFAOYSA-N
MW743.87 g/mol
LogP14.78
Rot. Bonds6

About N-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine

N-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine (PubChem CID 170424843) has the molecular formula C53H33N3O2 and a molecular weight of 743.87 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine
PubChem CID170424843
Molecular FormulaC53H33N3O2
Molecular Weight743.87 g/mol
Exact Mass743.26
IUPAC NameN-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2nc3c(ccc4cccc(-c5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)c43)o2)cc1
InChIInChI=1S/C53H33N3O2/c1-3-12-36(13-4-1)53-54-52-49(58-53)31-24-35-14-11-19-41(51(35)52)34-22-25-38(26-23-34)55(40-28-30-45-44-18-8-10-21-48(44)57-50(45)33-40)39-27-29-43-42-17-7-9-20-46(42)56(47(43)32-39)37-15-5-2-6-16-37/h1-33H
InChIKeyVNCDXAIDCYIMNJ-UHFFFAOYSA-N
XLogP14.78
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.87
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167125034
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,9-diphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine
CID 170395939
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 167124892
N-(4-benzo[e][1,3]benzoxazol-2-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 170028823
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167123619
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-3-amine
CID 176785595
N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298904
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379960
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-11-phenylbenzo[a]carbazol-3-amine
CID 155034759
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167127943
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167125018

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine (CID 170424843) is N-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine is c1ccc(-c2nc3c(ccc4cccc(-c5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)c43)o2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine?
The InChIKey is VNCDXAIDCYIMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O2/c1-3-12-36(13-4-1)53-54-52-49(58-53)31-24-35-14-11-19-41(51(35)52)34-22-25-38(26-23-34)55(40-28-30-45-44-18-8-10-21-48(44)57-50(45)33-40)39-27-29-43-42-17-7-9-20-46(42)56(47(43)32-39)37-15-5-2-6-16-37/h1-33H.
What are the key properties of N-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine?
N-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine has a molecular weight of 743.87 g/mol, XLogP of 14.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine is sourced from PubChem (CID 170424843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).