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

C77H48N4O — CID 155474616

IUPAC12-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)nc(-c5ccc(-n6c7cc8ccccc8cc7c7cc8ccccc8cc76)c(-c6ccc7oc8ccccc8c7c6)c5)n4)cc3)cc2)cc1
InChIInChI=1S/C77H48N4O/c1-3-13-49(14-4-1)51-23-27-53(28-24-51)55-31-35-57(36-32-55)75-78-76(58-37-33-56(34-38-58)54-29-25-52(26-30-54)50-15-5-2-6-16-50)80-77(79-75)64-39-41-70(66(46-64)63-40-42-74-69(45-63)65-21-11-12-22-73(65)82-74)81-71-47-61-19-9-7-17-59(61)43-67(71)68-44-60-18-8-10-20-62(60)48-72(68)81/h1-48H
InChIKeyIUNLPJSXZVBKLJ-UHFFFAOYSA-N
MW1045.26 g/mol
LogP20.51
Rot. Bonds9

About 12-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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 155474616) has the molecular formula C77H48N4O and a molecular weight of 1045.26 g/mol. Its IUPAC name is 12-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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 CID155474616
Molecular FormulaC77H48N4O
Molecular Weight1045.26 g/mol
Exact Mass1044.38
IUPAC Name12-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)nc(-c5ccc(-n6c7cc8ccccc8cc7c7cc8ccccc8cc76)c(-c6ccc7oc8ccccc8c7c6)c5)n4)cc3)cc2)cc1
InChIInChI=1S/C77H48N4O/c1-3-13-49(14-4-1)51-23-27-53(28-24-51)55-31-35-57(36-32-55)75-78-76(58-37-33-56(34-38-58)54-29-25-52(26-30-54)50-15-5-2-6-16-50)80-77(79-75)64-39-41-70(66(46-64)63-40-42-74-69(45-63)65-21-11-12-22-73(65)82-74)81-71-47-61-19-9-7-17-59(61)43-67(71)68-44-60-18-8-10-20-62(60)48-72(68)81/h1-48H
InChIKeyIUNLPJSXZVBKLJ-UHFFFAOYSA-N
XLogP20.51
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.26
LogP ≤ 520.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

12-[3-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-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 166700220
5-[2-dibenzofuran-2-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[b]carbazole
CID 155474665
9-[4-[4-dibenzofuran-2-yl-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-3,6-diphenylcarbazole
CID 146414244
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-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 166916089
12-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-3-ylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155475172
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
4-dibenzofuran-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142571859
9-[5-[4-(4-carbazol-9-yl-3-dibenzofuran-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303494
12-[1-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-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 164714931
12-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]-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 155430129
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497
12-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)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 155450043

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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 155474616) is 12-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)nc(-c5ccc(-n6c7cc8ccccc8cc7c7cc8ccccc8cc76)c(-c6ccc7oc8ccccc8c7c6)c5)n4)cc3)cc2)cc1.
What is the InChIKey of 12-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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 IUNLPJSXZVBKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H48N4O/c1-3-13-49(14-4-1)51-23-27-53(28-24-51)55-31-35-57(36-32-55)75-78-76(58-37-33-56(34-38-58)54-29-25-52(26-30-54)50-15-5-2-6-16-50)80-77(79-75)64-39-41-70(66(46-64)63-40-42-74-69(45-63)65-21-11-12-22-73(65)82-74)81-71-47-61-19-9-7-17-59(61)43-67(71)68-44-60-18-8-10-20-62(60)48-72(68)81/h1-48H.
What are the key properties of 12-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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-[4-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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 1045.26 g/mol, XLogP of 20.51, 9 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-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-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 155474616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).