2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole

C41H25N3O2 — CID 167453257

IUPAC2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESC1=CC2c3cc4ccccc4cc3N(c3ccc4c(c3)c3ccccc3n4-c3nc4ccc5oc6ccccc6c5c4o3)C2C=C1
InChIInChI=1S/C41H25N3O2/c1-2-10-25-22-36-30(21-24(25)9-1)27-11-3-6-14-33(27)43(36)26-17-19-35-31(23-26)28-12-4-7-15-34(28)44(35)41-42-32-18-20-38-39(40(32)46-41)29-13-5-8-16-37(29)45-38/h1-23,27,33H
InChIKeyZOIFUMVQHZRVBF-UHFFFAOYSA-N
MW591.67 g/mol
LogP10.71
Rot. Bonds2

About 2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole

2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole (PubChem CID 167453257) has the molecular formula C41H25N3O2 and a molecular weight of 591.67 g/mol. Its IUPAC name is 2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole
PubChem CID167453257
Molecular FormulaC41H25N3O2
Molecular Weight591.67 g/mol
Exact Mass591.19
IUPAC Name2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESC1=CC2c3cc4ccccc4cc3N(c3ccc4c(c3)c3ccccc3n4-c3nc4ccc5oc6ccccc6c5c4o3)C2C=C1
InChIInChI=1S/C41H25N3O2/c1-2-10-25-22-36-30(21-24(25)9-1)27-11-3-6-14-33(27)43(36)26-17-19-35-31(23-26)28-12-4-7-15-34(28)44(35)41-42-32-18-20-38-39(40(32)46-41)29-13-5-8-16-37(29)45-38/h1-23,27,33H
InChIKeyZOIFUMVQHZRVBF-UHFFFAOYSA-N
XLogP10.71
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.67
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-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-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167454422
9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole
CID 166928424
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole
CID 166918804
2-(4a,9a-dihydrocarbazol-9-yl)-9-carbazol-9-yl-12-dibenzofuran-2-yl-5-phenylindolo[3,2-c]carbazole
CID 71059003
(4aR)-9-dibenzofuran-2-yl-6-(2,4,6-trimethylphenyl)-4a,9a-dihydrocarbazole
CID 71248620
9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole
CID 67953610
5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 170205828
9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163719008
2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167452861
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
9-[8-[[6-(4a,9a-dihydrocarbazol-9-yl)-2-pyridinyl]methyl]dibenzofuran-2-yl]carbazole
CID 163460675
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
The IUPAC name of 2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole (CID 167453257) is 2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole.
What is the SMILES notation for 2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
The canonical SMILES for 2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole is C1=CC2c3cc4ccccc4cc3N(c3ccc4c(c3)c3ccccc3n4-c3nc4ccc5oc6ccccc6c5c4o3)C2C=C1.
What is the InChIKey of 2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
The InChIKey is ZOIFUMVQHZRVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O2/c1-2-10-25-22-36-30(21-24(25)9-1)27-11-3-6-14-33(27)43(36)26-17-19-35-31(23-26)28-12-4-7-15-34(28)44(35)41-42-32-18-20-38-39(40(32)46-41)29-13-5-8-16-37(29)45-38/h1-23,27,33H.
What are the key properties of 2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole has a molecular weight of 591.67 g/mol, XLogP of 10.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4a,11b-dihydrobenzo[b]carbazol-5-yl)carbazol-9-yl]-[1]benzofuro[2,3-g][1,3]benzoxazole is sourced from PubChem (CID 167453257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).