9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene

C43H29NO — CID 129193103

IUPAC9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc3c(ccc4c3c3ccccc3n4-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c21
InChIInChI=1S/C43H29NO/c1-43(2)36-15-6-3-10-29(36)32-23-22-31-33(41(32)43)24-25-38-40(31)35-12-4-7-16-37(35)44(38)27-20-18-26(19-21-27)28-13-9-14-34-30-11-5-8-17-39(30)45-42(28)34/h3-25H,1-2H3
InChIKeyVBFZHTKNFGDGJQ-UHFFFAOYSA-N
MW575.71 g/mol
LogP11.81
Rot. Bonds2

About 9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene

9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene (PubChem CID 129193103) has the molecular formula C43H29NO and a molecular weight of 575.71 g/mol. Its IUPAC name is 9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
PubChem CID129193103
Molecular FormulaC43H29NO
Molecular Weight575.71 g/mol
Exact Mass575.22
IUPAC Name9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc3c(ccc4c3c3ccccc3n4-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c21
InChIInChI=1S/C43H29NO/c1-43(2)36-15-6-3-10-29(36)32-23-22-31-33(41(32)43)24-25-38-40(31)35-12-4-7-16-37(35)44(38)27-20-18-26(19-21-27)28-13-9-14-34-30-11-5-8-17-39(30)45-42(28)34/h3-25H,1-2H3
InChIKeyVBFZHTKNFGDGJQ-UHFFFAOYSA-N
XLogP11.81
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.71
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 90191504
11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 90225215
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90225202
2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223381
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
CID 121449411
8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112
7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole
CID 126580144
9-(4-dibenzofuran-4-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580156
9-(4-dibenzofuran-4-ylphenyl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580159
5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118153947
3-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 71037140

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene?
The IUPAC name of 9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene (CID 129193103) is 9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene?
The canonical SMILES for 9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene is CC1(C)c2ccccc2-c2ccc3c(ccc4c3c3ccccc3n4-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c21.
What is the InChIKey of 9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene?
The InChIKey is VBFZHTKNFGDGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NO/c1-43(2)36-15-6-3-10-29(36)32-23-22-31-33(41(32)43)24-25-38-40(31)35-12-4-7-16-37(35)44(38)27-20-18-26(19-21-27)28-13-9-14-34-30-11-5-8-17-39(30)45-42(28)34/h3-25H,1-2H3.
What are the key properties of 9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene?
9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene has a molecular weight of 575.71 g/mol, XLogP of 11.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 129193103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).