12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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

C65H40N4O — CID 155475122

IUPAC12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)c(-c5cccc6oc7ccccc7c56)c4)n3)cc2)cc1
InChIInChI=1S/C65H40N4O/c1-3-14-41(15-4-1)43-26-30-46(31-27-43)63-66-64(47-32-28-44(29-33-47)42-16-5-2-6-17-42)68-65(67-63)50-35-36-56(54(39-50)52-23-13-25-60-62(52)53-22-11-12-24-59(53)70-60)69-57-37-34-45-18-9-10-21-51(45)61(57)55-38-48-19-7-8-20-49(48)40-58(55)69/h1-40H
InChIKeyFHSMRYOVSFUMCL-UHFFFAOYSA-N
MW893.06 g/mol
LogP17.18
Rot. Bonds7

About 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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

12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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 (PubChem CID 155475122) has the molecular formula C65H40N4O and a molecular weight of 893.06 g/mol. Its IUPAC name is 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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.

Molecular Properties

Compound Name12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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
PubChem CID155475122
Molecular FormulaC65H40N4O
Molecular Weight893.06 g/mol
Exact Mass892.32
IUPAC Name12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)c(-c5cccc6oc7ccccc7c56)c4)n3)cc2)cc1
InChIInChI=1S/C65H40N4O/c1-3-14-41(15-4-1)43-26-30-46(31-27-43)63-66-64(47-32-28-44(29-33-47)42-16-5-2-6-17-42)68-65(67-63)50-35-36-56(54(39-50)52-23-13-25-60-62(52)53-22-11-12-24-59(53)70-60)69-57-37-34-45-18-9-10-21-51(45)61(57)55-38-48-19-7-8-20-49(48)40-58(55)69/h1-40H
InChIKeyFHSMRYOVSFUMCL-UHFFFAOYSA-N
XLogP17.18
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.06
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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 with MolForge

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Related Compounds

12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-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 155450442
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
CID 155474965
12-[1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-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 164714640
5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155474903
5-[2-naphtho[1,2-b][1]benzofuran-7-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155474711
5-[4-(4-anthracen-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-1-ylphenyl]benzo[b]carbazole
CID 155474988
12-[2-[4-[4-[7-[3-[4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)phenyl]-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-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 167031992
12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-11-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 163581502
25-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azaheptacyclo[14.12.1.02,11.05,10.012,29.017,22.023,28]nonacosa-2(11),3,5,7,9,12(29),13,15,17,19,21,23(28),24,26-tetradecaene
CID 121386184
8-dibenzofuran-1-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane
CID 142571739
12-[2-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-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 167031823
12-[4-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)phenyl]-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 155450612

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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?
The IUPAC name of 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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 155475122) is 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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.
What is the SMILES notation for 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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?
The canonical SMILES for 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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 is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-n5c6cc7ccccc7cc6c6c7ccccc7ccc65)c(-c5cccc6oc7ccccc7c56)c4)n3)cc2)cc1.
What is the InChIKey of 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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?
The InChIKey is FHSMRYOVSFUMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N4O/c1-3-14-41(15-4-1)43-26-30-46(31-27-43)63-66-64(47-32-28-44(29-33-47)42-16-5-2-6-17-42)68-65(67-63)50-35-36-56(54(39-50)52-23-13-25-60-62(52)53-22-11-12-24-59(53)70-60)69-57-37-34-45-18-9-10-21-51(45)61(57)55-38-48-19-7-8-20-49(48)40-58(55)69/h1-40H.
What are the key properties of 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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?
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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 has a molecular weight of 893.06 g/mol, XLogP of 17.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylphenyl]-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 is sourced from PubChem (CID 155475122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).