2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole

C37H21N3O2 — CID 167454422

IUPAC2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2nc3ccc4oc5ccccc5c4c3o2)cc1
InChIInChI=1S/C37H21N3O2/c1-2-10-22(11-3-1)39-29-15-7-4-12-23(29)26-21-32-27(20-31(26)39)24-13-5-8-16-30(24)40(32)37-38-28-18-19-34-35(36(28)42-37)25-14-6-9-17-33(25)41-34/h1-21H
InChIKeyPQJLHDDSFKCQFF-UHFFFAOYSA-N
MW539.59 g/mol
LogP9.92
Rot. Bonds2

About 2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole

2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole (PubChem CID 167454422) has the molecular formula C37H21N3O2 and a molecular weight of 539.59 g/mol. Its IUPAC name is 2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole
PubChem CID167454422
Molecular FormulaC37H21N3O2
Molecular Weight539.59 g/mol
Exact Mass539.16
IUPAC Name2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2nc3ccc4oc5ccccc5c4c3o2)cc1
InChIInChI=1S/C37H21N3O2/c1-2-10-22(11-3-1)39-29-15-7-4-12-23(29)26-21-32-27(20-31(26)39)24-13-5-8-16-30(24)40(32)37-38-28-18-19-34-35(36(28)42-37)25-14-6-9-17-33(25)41-34/h1-21H
InChIKeyPQJLHDDSFKCQFF-UHFFFAOYSA-N
XLogP9.92
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.59
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole 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

2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167452861
2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one
CID 118531831
2-(22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-12-yl)-1,3-benzoxazole
CID 118502072
22-(9-phenylcarbazol-2-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 126621754
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167453257
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163842571
2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167453696
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123993
11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118154464
16-[4-(3,5-diphenylphenyl)phenyl]-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 122465837
14-phenyl-18-(9-phenylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 118298646

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole?
The IUPAC name of 2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole (CID 167454422) is 2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole.
What is the SMILES notation for 2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole?
The canonical SMILES for 2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2nc3ccc4oc5ccccc5c4c3o2)cc1.
What is the InChIKey of 2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole?
The InChIKey is PQJLHDDSFKCQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N3O2/c1-2-10-22(11-3-1)39-29-15-7-4-12-23(29)26-21-32-27(20-31(26)39)24-13-5-8-16-30(24)40(32)37-38-28-18-19-34-35(36(28)42-37)25-14-6-9-17-33(25)41-34/h1-21H.
What are the key properties of 2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole?
2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole has a molecular weight of 539.59 g/mol, XLogP of 9.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole is sourced from PubChem (CID 167454422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).