N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine

C49H29N3O2S — CID 167130023

IUPACN-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
SMILESc1ccc(-c2nc3cc4c(cc3o2)oc2ccc(N(c3ccc5c(c3)sc3ccccc35)c3cccc5c3c3ccccc3n5-c3ccccc3)cc24)cc1
InChIInChI=1S/C49H29N3O2S/c1-3-12-30(13-4-1)49-50-39-28-38-37-26-32(23-25-43(37)53-44(38)29-45(39)54-49)51(33-22-24-35-34-16-8-10-21-46(34)55-47(35)27-33)41-19-11-20-42-48(41)36-17-7-9-18-40(36)52(42)31-14-5-2-6-15-31/h1-29H
InChIKeyZXVPPZAAZXDRNX-UHFFFAOYSA-N
MW723.86 g/mol
LogP14.33
Rot. Bonds5

About N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine

N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine (PubChem CID 167130023) has the molecular formula C49H29N3O2S and a molecular weight of 723.86 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
PubChem CID167130023
Molecular FormulaC49H29N3O2S
Molecular Weight723.86 g/mol
Exact Mass723.20
IUPAC NameN-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
SMILESc1ccc(-c2nc3cc4c(cc3o2)oc2ccc(N(c3ccc5c(c3)sc3ccccc35)c3cccc5c3c3ccccc3n5-c3ccccc3)cc24)cc1
InChIInChI=1S/C49H29N3O2S/c1-3-12-30(13-4-1)49-50-39-28-38-37-26-32(23-25-43(37)53-44(38)29-45(39)54-49)51(33-22-24-35-34-16-8-10-21-46(34)55-47(35)27-33)41-19-11-20-42-48(41)36-17-7-9-18-40(36)52(42)31-14-5-2-6-15-31/h1-29H
InChIKeyZXVPPZAAZXDRNX-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

Analyze N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-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-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167128284
N-[7-[3-[6-[dibenzothiophen-3-yl-(9-phenylcarbazol-1-yl)amino]-[1]benzofuro[3,2-f][1,3]benzoxazol-2-yl]phenyl]dibenzothiophen-3-yl]-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167130025
N-dibenzothiophen-1-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124376
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-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167128330
N-dibenzothiophen-2-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine
CID 170395912
N-dibenzothiophen-4-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123316
2-phenyl-N-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167123428
2-phenyl-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124431
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128479
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine
CID 170041410
N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine
CID 171455407

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine?
The IUPAC name of N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine (CID 167130023) is N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine is c1ccc(-c2nc3cc4c(cc3o2)oc2ccc(N(c3ccc5c(c3)sc3ccccc35)c3cccc5c3c3ccccc3n5-c3ccccc3)cc24)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine?
The InChIKey is ZXVPPZAAZXDRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2S/c1-3-12-30(13-4-1)49-50-39-28-38-37-26-32(23-25-43(37)53-44(38)29-45(39)54-49)51(33-22-24-35-34-16-8-10-21-46(34)55-47(35)27-33)41-19-11-20-42-48(41)36-17-7-9-18-40(36)52(42)31-14-5-2-6-15-31/h1-29H.
What are the key properties of N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine?
N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-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-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine is sourced from PubChem (CID 167130023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).