N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine

C49H29N3O3 — CID 167128330

IUPACN-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2nc3cc4oc5cc(N(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6cccc7oc8ccccc8c67)ccc5c4cc3o2)cc1
InChIInChI=1S/C49H29N3O3/c1-3-12-30(13-4-1)49-50-39-29-46-38(28-47(39)55-49)35-24-22-33(27-45(35)54-46)51(42-19-11-21-44-48(42)36-17-8-10-20-43(36)53-44)32-23-25-41-37(26-32)34-16-7-9-18-40(34)52(41)31-14-5-2-6-15-31/h1-29H
InChIKeyHYXVPQWLPCEDRY-UHFFFAOYSA-N
MW707.79 g/mol
LogP13.86
Rot. Bonds5

About N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine

N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine (PubChem CID 167128330) has the molecular formula C49H29N3O3 and a molecular weight of 707.79 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
PubChem CID167128330
Molecular FormulaC49H29N3O3
Molecular Weight707.79 g/mol
Exact Mass707.22
IUPAC NameN-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2nc3cc4oc5cc(N(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6cccc7oc8ccccc8c67)ccc5c4cc3o2)cc1
InChIInChI=1S/C49H29N3O3/c1-3-12-30(13-4-1)49-50-39-29-46-38(28-47(39)55-49)35-24-22-33(27-45(35)54-46)51(42-19-11-21-44-48(42)36-17-8-10-20-43(36)53-44)32-23-25-41-37(26-32)34-16-7-9-18-40(34)52(41)31-14-5-2-6-15-31/h1-29H
InChIKeyHYXVPQWLPCEDRY-UHFFFAOYSA-N
XLogP13.86
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.79
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128648
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 170776846
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167128284
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167127385
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-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128479
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128694
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 167130106
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167125018
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 167130122
N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
CID 167130023
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167125257

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine?
The IUPAC name of N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine (CID 167128330) is N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine?
The canonical SMILES for N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine is c1ccc(-c2nc3cc4oc5cc(N(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6cccc7oc8ccccc8c67)ccc5c4cc3o2)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine?
The InChIKey is HYXVPQWLPCEDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O3/c1-3-12-30(13-4-1)49-50-39-29-46-38(28-47(39)55-49)35-24-22-33(27-45(35)54-46)51(42-19-11-21-44-48(42)36-17-8-10-20-43(36)53-44)32-23-25-41-37(26-32)34-16-7-9-18-40(34)52(41)31-14-5-2-6-15-31/h1-29H.
What are the key properties of N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine?
N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine has a molecular weight of 707.79 g/mol, XLogP of 13.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine is sourced from PubChem (CID 167128330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).