12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

C53H32N4O2 — CID 166700730

IUPAC12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
SMILESc1ccc(C2N=C(c3ccc4c(c3)oc3ccccc34)N=C(c3cc(-n4c5cc6ccccc6cc5c5cc6ccccc6cc54)cc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C53H32N4O2/c1-2-12-31(13-3-1)51-54-52(36-22-23-39-38-18-8-10-20-46(38)58-48(39)28-36)56-53(55-51)43-29-37(30-49-50(43)40-19-9-11-21-47(40)59-49)57-44-26-34-16-6-4-14-32(34)24-41(44)42-25-33-15-5-7-17-35(33)27-45(42)57/h1-30,51H,(H,54,55,56)
InChIKeyLADVSWRYXAHDMO-UHFFFAOYSA-N
MW756.87 g/mol
LogP13.38
Rot. Bonds4

About 12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (PubChem CID 166700730) has the molecular formula C53H32N4O2 and a molecular weight of 756.87 g/mol. Its IUPAC name is 12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.

Molecular Properties

Compound Name12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
PubChem CID166700730
Molecular FormulaC53H32N4O2
Molecular Weight756.87 g/mol
Exact Mass756.25
IUPAC Name12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
SMILESc1ccc(C2N=C(c3ccc4c(c3)oc3ccccc34)N=C(c3cc(-n4c5cc6ccccc6cc5c5cc6ccccc6cc54)cc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C53H32N4O2/c1-2-12-31(13-3-1)51-54-52(36-22-23-39-38-18-8-10-20-46(38)58-48(39)28-36)56-53(55-51)43-29-37(30-49-50(43)40-19-9-11-21-47(40)59-49)57-44-26-34-16-6-4-14-32(34)24-41(44)42-25-33-15-5-7-17-35(33)27-45(42)57/h1-30,51H,(H,54,55,56)
InChIKeyLADVSWRYXAHDMO-UHFFFAOYSA-N
XLogP13.38
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.87
LogP ≤ 513.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene with MolForge

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Related Compounds

5-[1-[4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166699587
12-[1-[4-dibenzothiophen-3-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 167043643
5-[1-[4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167043225
12-[1-[2,4-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166700545
12-[1-[2-naphthalen-1-yl-4-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 167043912
5-[1-[4-dibenzofuran-4-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166700494
5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 166699900
3-[4-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 166914794
3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154938549
5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166699268
9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 167200274
5-[3-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699128

Frequently Asked Questions

What is the IUPAC name of 12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The IUPAC name of 12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (CID 166700730) is 12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.
What is the SMILES notation for 12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The canonical SMILES for 12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is c1ccc(C2N=C(c3ccc4c(c3)oc3ccccc34)N=C(c3cc(-n4c5cc6ccccc6cc5c5cc6ccccc6cc54)cc4oc5ccccc5c34)N2)cc1.
What is the InChIKey of 12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The InChIKey is LADVSWRYXAHDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O2/c1-2-12-31(13-3-1)51-54-52(36-22-23-39-38-18-8-10-20-46(38)58-48(39)28-36)56-53(55-51)43-29-37(30-49-50(43)40-19-9-11-21-47(40)59-49)57-44-26-34-16-6-4-14-32(34)24-41(44)42-25-33-15-5-7-17-35(33)27-45(42)57/h1-30,51H,(H,54,55,56).
What are the key properties of 12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene has a molecular weight of 756.87 g/mol, XLogP of 13.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is sourced from PubChem (CID 166700730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).