17-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene

C67H40N2O2 — CID 163875371

IUPAC17-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
SMILESc1ccc(-c2nc3c(-c4ccc(-c5cc(-c6cccc7c6oc6ccccc67)cc(-c6cccc7c6oc6ccccc67)c5)cc4)cccc3c3c2ccc2c3c3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C67H40N2O2/c1-3-16-43(17-4-1)64-57-36-37-59-63(55-22-7-10-29-58(55)69(59)47-18-5-2-6-19-47)62(57)56-28-13-23-48(65(56)68-64)42-34-32-41(33-35-42)44-38-45(49-24-14-26-53-51-20-8-11-30-60(51)70-66(49)53)40-46(39-44)50-25-15-27-54-52-21-9-12-31-61(52)71-67(50)54/h1-40H
InChIKeyPOJYENRNWJOUNC-UHFFFAOYSA-N
MW905.07 g/mol
LogP18.62
Rot. Bonds6

About 17-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene

17-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene (PubChem CID 163875371) has the molecular formula C67H40N2O2 and a molecular weight of 905.07 g/mol. Its IUPAC name is 17-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene.

Molecular Properties

Compound Name17-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
PubChem CID163875371
Molecular FormulaC67H40N2O2
Molecular Weight905.07 g/mol
Exact Mass904.31
IUPAC Name17-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
SMILESc1ccc(-c2nc3c(-c4ccc(-c5cc(-c6cccc7c6oc6ccccc67)cc(-c6cccc7c6oc6ccccc67)c5)cc4)cccc3c3c2ccc2c3c3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C67H40N2O2/c1-3-16-43(17-4-1)64-57-36-37-59-63(55-22-7-10-29-58(55)69(59)47-18-5-2-6-19-47)62(57)56-28-13-23-48(65(56)68-64)42-34-32-41(33-35-42)44-38-45(49-24-14-26-53-51-20-8-11-30-60(51)70-66(49)53)40-46(39-44)50-25-15-27-54-52-21-9-12-31-61(52)71-67(50)54/h1-40H
InChIKeyPOJYENRNWJOUNC-UHFFFAOYSA-N
XLogP18.62
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.07
LogP ≤ 518.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene with MolForge

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Related Compounds

14-(3-dibenzofuran-4-ylphenyl)-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122308
18-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 166584659
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-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154439
4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
CID 118154043
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
CID 122492294
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146543268
9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-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-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-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
CID 158667209
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
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

Frequently Asked Questions

What is the IUPAC name of 17-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene?
The IUPAC name of 17-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene (CID 163875371) is 17-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene.
What is the SMILES notation for 17-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene?
The canonical SMILES for 17-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene is c1ccc(-c2nc3c(-c4ccc(-c5cc(-c6cccc7c6oc6ccccc67)cc(-c6cccc7c6oc6ccccc67)c5)cc4)cccc3c3c2ccc2c3c3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of 17-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene?
The InChIKey is POJYENRNWJOUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40N2O2/c1-3-16-43(17-4-1)64-57-36-37-59-63(55-22-7-10-29-58(55)69(59)47-18-5-2-6-19-47)62(57)56-28-13-23-48(65(56)68-64)42-34-32-41(33-35-42)44-38-45(49-24-14-26-53-51-20-8-11-30-60(51)70-66(49)53)40-46(39-44)50-25-15-27-54-52-21-9-12-31-61(52)71-67(50)54/h1-40H.
What are the key properties of 17-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene?
17-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene has a molecular weight of 905.07 g/mol, XLogP of 18.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene is sourced from PubChem (CID 163875371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).