6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene

C63H42N4O — CID 163574280

IUPAC6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
SMILESC1=CC2C(c3ccccc3N2c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2c1oc1cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc21
InChIInChI=1S/C63H42N4O/c1-4-13-41(14-5-1)44-23-27-47(28-24-44)61-64-62(48-29-25-45(26-30-48)42-15-6-2-7-16-42)66-63(65-61)51-33-36-54-58(40-51)68-57-38-37-56-59(60(54)57)53-21-10-11-22-55(53)67(56)52-34-31-46(32-35-52)50-20-12-19-49(39-50)43-17-8-3-9-18-43/h1-40,56,59H
InChIKeyKOIFJPOHBQQQFS-UHFFFAOYSA-N
MW871.06 g/mol
LogP15.97
Rot. Bonds8

About 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene

6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene (PubChem CID 163574280) has the molecular formula C63H42N4O and a molecular weight of 871.06 g/mol. Its IUPAC name is 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene.

Molecular Properties

Compound Name6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
PubChem CID163574280
Molecular FormulaC63H42N4O
Molecular Weight871.06 g/mol
Exact Mass870.34
IUPAC Name6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
SMILESC1=CC2C(c3ccccc3N2c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2c1oc1cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc21
InChIInChI=1S/C63H42N4O/c1-4-13-41(14-5-1)44-23-27-47(28-24-44)61-64-62(48-29-25-45(26-30-48)42-15-6-2-7-16-42)66-63(65-61)51-33-36-54-58(40-51)68-57-38-37-56-59(60(54)57)53-21-10-11-22-55(53)67(56)52-34-31-46(32-35-52)50-20-12-19-49(39-50)43-17-8-3-9-18-43/h1-40,56,59H
InChIKeyKOIFJPOHBQQQFS-UHFFFAOYSA-N
XLogP15.97
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.06
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene with MolForge

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Related Compounds

5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 163880546
14-(3-phenylphenyl)-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 163865262
7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14-[4-(3-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 163579665
7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 163770394
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[3-(4-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene
CID 163563827
14-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 163474560
7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 171750342
7-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 163552667
4-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene
CID 163931091
14-phenyl-7-[4-(3-phenylphenyl)-6-pyridin-2-yl-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 163658419
7-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
CID 163768793
3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole
CID 170137084

Frequently Asked Questions

What is the IUPAC name of 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene?
The IUPAC name of 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene (CID 163574280) is 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene.
What is the SMILES notation for 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene?
The canonical SMILES for 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene is C1=CC2C(c3ccccc3N2c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2c1oc1cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc21.
What is the InChIKey of 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene?
The InChIKey is KOIFJPOHBQQQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4O/c1-4-13-41(14-5-1)44-23-27-47(28-24-44)61-64-62(48-29-25-45(26-30-48)42-15-6-2-7-16-42)66-63(65-61)51-33-36-54-58(40-51)68-57-38-37-56-59(60(54)57)53-21-10-11-22-55(53)67(56)52-34-31-46(32-35-52)50-20-12-19-49(39-50)43-17-8-3-9-18-43/h1-40,56,59H.
What are the key properties of 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene?
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene has a molecular weight of 871.06 g/mol, XLogP of 15.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene is sourced from PubChem (CID 163574280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).