3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C46H28N2O — CID 118488562

IUPAC3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5n(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4c32)cc1
InChIInChI=1S/C46H28N2O/c1-2-13-30(14-3-1)47-39-22-9-6-18-37(39)42-34-16-4-5-17-35(34)43-38-19-7-10-23-40(38)48(45(43)44(42)47)31-27-25-29(26-28-31)32-20-12-21-36-33-15-8-11-24-41(33)49-46(32)36/h1-28H
InChIKeyFQSQPDADHSIUHR-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.60
Rot. Bonds3

About 3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 118488562) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
PubChem CID118488562
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5n(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4c32)cc1
InChIInChI=1S/C46H28N2O/c1-2-13-30(14-3-1)47-39-22-9-6-18-37(39)42-34-16-4-5-17-35(34)43-38-19-7-10-23-40(38)48(45(43)44(42)47)31-27-25-29(26-28-31)32-20-12-21-36-33-15-8-11-24-41(33)49-46(32)36/h1-28H
InChIKeyFQSQPDADHSIUHR-UHFFFAOYSA-N
XLogP12.60
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90191508
4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole
CID 166509837
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
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
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
12-(4-dibenzofuran-4-ylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 126580189
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 146368988
9-(4-carbazol-9-ylphenyl)-14-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;9-(4-dibenzofuran-4-ylphenyl)-14-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;9,14-diphenyl-5-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159165938
12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11,12-diphenyl-3-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole;methane
CID 158881959
N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
CID 58510642

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 118488562) is 3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The canonical SMILES for 3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5n(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c4c32)cc1.
What is the InChIKey of 3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The InChIKey is FQSQPDADHSIUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-13-30(14-3-1)47-39-22-9-6-18-37(39)42-34-16-4-5-17-35(34)43-38-19-7-10-23-40(38)48(45(43)44(42)47)31-27-25-29(26-28-31)32-20-12-21-36-33-15-8-11-24-41(33)49-46(32)36/h1-28H.
What are the key properties of 3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 624.74 g/mol, XLogP of 12.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 118488562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).