26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene

C50H33NOS — CID 138547947

IUPAC26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene
SMILESc1ccc2c(c1)Cc1ccccc1-c1cc3c4ccccc4n(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3cc1Cc1ccccc1S2
InChIInChI=1S/C50H33NOS/c1-4-14-39-34(11-1)27-35-12-2-9-19-49(35)53-50-20-10-3-13-36(50)28-37-30-46-43(31-42(37)39)40-15-5-7-17-45(40)51(46)38-24-21-32(22-25-38)33-23-26-48-44(29-33)41-16-6-8-18-47(41)52-48/h1-26,29-31H,27-28H2
InChIKeyQWJNFXGGEZBTHL-UHFFFAOYSA-N
MW695.89 g/mol
LogP13.66
Rot. Bonds2

About 26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene

26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene (PubChem CID 138547947) has the molecular formula C50H33NOS and a molecular weight of 695.89 g/mol. Its IUPAC name is 26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene.

Molecular Properties

Compound Name26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene
PubChem CID138547947
Molecular FormulaC50H33NOS
Molecular Weight695.89 g/mol
Exact Mass695.23
IUPAC Name26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene
SMILESc1ccc2c(c1)Cc1ccccc1-c1cc3c4ccccc4n(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3cc1Cc1ccccc1S2
InChIInChI=1S/C50H33NOS/c1-4-14-39-34(11-1)27-35-12-2-9-19-49(35)53-50-20-10-3-13-36(50)28-37-30-46-43(31-42(37)39)40-15-5-7-17-45(40)51(46)38-24-21-32(22-25-38)33-23-26-48-44(29-33)41-16-6-8-18-47(41)52-48/h1-26,29-31H,27-28H2
InChIKeyQWJNFXGGEZBTHL-UHFFFAOYSA-N
XLogP13.66
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.89
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene 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

9-dibenzofuran-2-yl-3-(9,10-dihydrophenanthren-3-yl)carbazole
CID 129200556
9-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole
CID 143456606
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;4-[3-dibenzofuran-2-yl-5-(9H-fluoren-3-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 164988858
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 118148524
9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)carbazole
CID 121441427
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-3-yl)carbazole
CID 121441526
9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
CID 58536267

Frequently Asked Questions

What is the IUPAC name of 26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene?
The IUPAC name of 26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene (CID 138547947) is 26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene.
What is the SMILES notation for 26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene?
The canonical SMILES for 26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene is c1ccc2c(c1)Cc1ccccc1-c1cc3c4ccccc4n(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3cc1Cc1ccccc1S2.
What is the InChIKey of 26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene?
The InChIKey is QWJNFXGGEZBTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NOS/c1-4-14-39-34(11-1)27-35-12-2-9-19-49(35)53-50-20-10-3-13-36(50)28-37-30-46-43(31-42(37)39)40-15-5-7-17-45(40)51(46)38-24-21-32(22-25-38)33-23-26-48-44(29-33)41-16-6-8-18-47(41)52-48/h1-26,29-31H,27-28H2.
What are the key properties of 26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene?
26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene has a molecular weight of 695.89 g/mol, XLogP of 13.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene is sourced from PubChem (CID 138547947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).