3-(16-dibenzofuran-1-yl-1-methyl-6-oxaheptacyclo[15.10.1.02,14.05,13.07,12.021,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,17,19,21(28),22,24,26-dodecaen-10-yl)-9-phenylcarbazole

C58H37NO2 — CID 145360780

IUPAC3-(16-dibenzofuran-1-yl-1-methyl-6-oxaheptacyclo[15.10.1.02,14.05,13.07,12.021,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,17,19,21(28),22,24,26-dodecaen-10-yl)-9-phenylcarbazole
SMILESCC12c3ccccc3-c3cccc(c31)C(c1cccc3oc4ccccc4c13)Cc1c2ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c12
InChIInChI=1S/C58H37NO2/c1-58-47-21-8-5-15-37(47)40-19-11-20-41(57(40)58)43(39-18-12-24-53-55(39)42-17-7-10-23-51(42)60-53)33-45-48(58)27-30-54-56(45)46-32-35(26-29-52(46)61-54)34-25-28-50-44(31-34)38-16-6-9-22-49(38)59(50)36-13-3-2-4-14-36/h2-32,43H,33H2,1H3
InChIKeyIVMSOUUUPVFEMK-UHFFFAOYSA-N
MW779.94 g/mol
LogP15.27
Rot. Bonds3

About 3-(16-dibenzofuran-1-yl-1-methyl-6-oxaheptacyclo[15.10.1.02,14.05,13.07,12.021,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,17,19,21(28),22,24,26-dodecaen-10-yl)-9-phenylcarbazole

3-(16-dibenzofuran-1-yl-1-methyl-6-oxaheptacyclo[15.10.1.02,14.05,13.07,12.021,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,17,19,21(28),22,24,26-dodecaen-10-yl)-9-phenylcarbazole (PubChem CID 145360780) has the molecular formula C58H37NO2 and a molecular weight of 779.94 g/mol. Its IUPAC name is 3-(16-dibenzofuran-1-yl-1-methyl-6-oxaheptacyclo[15.10.1.02,14.05,13.07,12.021,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,17,19,21(28),22,24,26-dodecaen-10-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(16-dibenzofuran-1-yl-1-methyl-6-oxaheptacyclo[15.10.1.02,14.05,13.07,12.021,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,17,19,21(28),22,24,26-dodecaen-10-yl)-9-phenylcarbazole
PubChem CID145360780
Molecular FormulaC58H37NO2
Molecular Weight779.94 g/mol
Exact Mass779.28
IUPAC Name3-(16-dibenzofuran-1-yl-1-methyl-6-oxaheptacyclo[15.10.1.02,14.05,13.07,12.021,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,17,19,21(28),22,24,26-dodecaen-10-yl)-9-phenylcarbazole
SMILESCC12c3ccccc3-c3cccc(c31)C(c1cccc3oc4ccccc4c13)Cc1c2ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c12
InChIInChI=1S/C58H37NO2/c1-58-47-21-8-5-15-37(47)40-19-11-20-41(57(40)58)43(39-18-12-24-53-55(39)42-17-7-10-23-51(42)60-53)33-45-48(58)27-30-54-56(45)46-32-35(26-29-52(46)61-54)34-25-28-50-44(31-34)38-16-6-9-22-49(38)59(50)36-13-3-2-4-14-36/h2-32,43H,33H2,1H3
InChIKeyIVMSOUUUPVFEMK-UHFFFAOYSA-N
XLogP15.27
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(16-dibenzofuran-1-yl-1-methyl-6-oxaheptacyclo[15.10.1.02,14.05,13.07,12.021,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,17,19,21(28),22,24,26-dodecaen-10-yl)-9-phenylcarbazole 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

3-(10-dibenzofuran-1-yl-9,10-dihydrophenanthren-3-yl)-9-phenylcarbazole
CID 167289243
7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole;5,7-diphenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
CID 163758955
2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 134516211
3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099089
3-[9-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163499661
9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 144955849
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
N-dibenzofuran-1-yl-8-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138577550
7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087
9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)carbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)carbazole
CID 160530149
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
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 3-(16-dibenzofuran-1-yl-1-methyl-6-oxaheptacyclo[15.10.1.02,14.05,13.07,12.021,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,17,19,21(28),22,24,26-dodecaen-10-yl)-9-phenylcarbazole?
The IUPAC name of 3-(16-dibenzofuran-1-yl-1-methyl-6-oxaheptacyclo[15.10.1.02,14.05,13.07,12.021,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,17,19,21(28),22,24,26-dodecaen-10-yl)-9-phenylcarbazole (CID 145360780) is 3-(16-dibenzofuran-1-yl-1-methyl-6-oxaheptacyclo[15.10.1.02,14.05,13.07,12.021,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,17,19,21(28),22,24,26-dodecaen-10-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(16-dibenzofuran-1-yl-1-methyl-6-oxaheptacyclo[15.10.1.02,14.05,13.07,12.021,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,17,19,21(28),22,24,26-dodecaen-10-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(16-dibenzofuran-1-yl-1-methyl-6-oxaheptacyclo[15.10.1.02,14.05,13.07,12.021,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,17,19,21(28),22,24,26-dodecaen-10-yl)-9-phenylcarbazole is CC12c3ccccc3-c3cccc(c31)C(c1cccc3oc4ccccc4c13)Cc1c2ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c12.
What is the InChIKey of 3-(16-dibenzofuran-1-yl-1-methyl-6-oxaheptacyclo[15.10.1.02,14.05,13.07,12.021,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,17,19,21(28),22,24,26-dodecaen-10-yl)-9-phenylcarbazole?
The InChIKey is IVMSOUUUPVFEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO2/c1-58-47-21-8-5-15-37(47)40-19-11-20-41(57(40)58)43(39-18-12-24-53-55(39)42-17-7-10-23-51(42)60-53)33-45-48(58)27-30-54-56(45)46-32-35(26-29-52(46)61-54)34-25-28-50-44(31-34)38-16-6-9-22-49(38)59(50)36-13-3-2-4-14-36/h2-32,43H,33H2,1H3.
What are the key properties of 3-(16-dibenzofuran-1-yl-1-methyl-6-oxaheptacyclo[15.10.1.02,14.05,13.07,12.021,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,17,19,21(28),22,24,26-dodecaen-10-yl)-9-phenylcarbazole?
3-(16-dibenzofuran-1-yl-1-methyl-6-oxaheptacyclo[15.10.1.02,14.05,13.07,12.021,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,17,19,21(28),22,24,26-dodecaen-10-yl)-9-phenylcarbazole has a molecular weight of 779.94 g/mol, XLogP of 15.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(16-dibenzofuran-1-yl-1-methyl-6-oxaheptacyclo[15.10.1.02,14.05,13.07,12.021,28.022,27]octacosa-2(14),3,5(13),7(12),8,10,17,19,21(28),22,24,26-dodecaen-10-yl)-9-phenylcarbazole is sourced from PubChem (CID 145360780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).