7-[6-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole

C41H22N2O3 — CID 171754187

IUPAC7-[6-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)cc(-c1nc3ccccc3o1)c1oc3ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc3c12
InChIInChI=1S/C41H22N2O3/c1-2-10-25-23(9-1)19-31(41-42-32-13-5-8-16-37(32)46-41)40-39(25)30-20-24(17-18-36(30)45-40)43-33-14-6-3-11-26(33)28-21-29-27-12-4-7-15-35(27)44-38(29)22-34(28)43/h1-22H
InChIKeyCUODOQTZNBCGQQ-UHFFFAOYSA-N
MW590.64 g/mol
LogP11.54
Rot. Bonds2

About 7-[6-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole

7-[6-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 171754187) has the molecular formula C41H22N2O3 and a molecular weight of 590.64 g/mol. Its IUPAC name is 7-[6-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[6-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID171754187
Molecular FormulaC41H22N2O3
Molecular Weight590.64 g/mol
Exact Mass590.16
IUPAC Name7-[6-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)cc(-c1nc3ccccc3o1)c1oc3ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc3c12
InChIInChI=1S/C41H22N2O3/c1-2-10-25-23(9-1)19-31(41-42-32-13-5-8-16-37(32)46-41)40-39(25)30-20-24(17-18-36(30)45-40)43-33-14-6-3-11-26(33)28-21-29-27-12-4-7-15-35(27)44-38(29)22-34(28)43/h1-22H
InChIKeyCUODOQTZNBCGQQ-UHFFFAOYSA-N
XLogP11.54
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.64
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[6-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole 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

7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole
CID 164707430
10-(8-carbazol-9-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134516179
12-[6-(4-carbazol-9-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 163846224
9-(18-carbazol-9-yl-11-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
CID 59147222
7-[2,3-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinoxalin-6-yl]-[1]benzofuro[2,3-b]carbazole
CID 126631130
9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole
CID 154600343
16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 134223333
7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532996
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
9-(18-carbazol-9-yl-12-phenanthren-9-yl-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 59147464
9-(5-carbazol-9-yl-11-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-16-yl)carbazole
CID 59147011
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934

Frequently Asked Questions

What is the IUPAC name of 7-[6-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[6-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole (CID 171754187) is 7-[6-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[6-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[6-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole is c1ccc2c(c1)cc(-c1nc3ccccc3o1)c1oc3ccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cc3c12.
What is the InChIKey of 7-[6-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is CUODOQTZNBCGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H22N2O3/c1-2-10-25-23(9-1)19-31(41-42-32-13-5-8-16-37(32)46-41)40-39(25)30-20-24(17-18-36(30)45-40)43-33-14-6-3-11-26(33)28-21-29-27-12-4-7-15-35(27)44-38(29)22-34(28)43/h1-22H.
What are the key properties of 7-[6-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole?
7-[6-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 590.64 g/mol, XLogP of 11.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(1,3-benzoxazol-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 171754187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).