4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]

C56H34N4O2 — CID 165387658

IUPAC4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4ccccc4C54C5=C(c6c4oc4ccccc64)N(c4ccccc4)c4ccccc4O5)cc3)n2)cc1
InChIInChI=1S/C56H34N4O2/c1-4-17-36(18-5-1)53-57-54(37-19-6-2-7-20-37)59-55(58-53)38-33-31-35(32-34-38)40-25-16-27-44-48(40)41-23-10-12-26-43(41)56(44)51-49(42-24-11-14-29-46(42)61-51)50-52(56)62-47-30-15-13-28-45(47)60(50)39-21-8-3-9-22-39/h1-34H
InChIKeyMEIUIHPPDHMSOC-UHFFFAOYSA-N
MW794.91 g/mol
LogP13.51
Rot. Bonds5

About 4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]

4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene] (PubChem CID 165387658) has the molecular formula C56H34N4O2 and a molecular weight of 794.91 g/mol. Its IUPAC name is 4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene].

Molecular Properties

Compound Name4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]
PubChem CID165387658
Molecular FormulaC56H34N4O2
Molecular Weight794.91 g/mol
Exact Mass794.27
IUPAC Name4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4ccccc4C54C5=C(c6c4oc4ccccc64)N(c4ccccc4)c4ccccc4O5)cc3)n2)cc1
InChIInChI=1S/C56H34N4O2/c1-4-17-36(18-5-1)53-57-54(37-19-6-2-7-20-37)59-55(58-53)38-33-31-35(32-34-38)40-25-16-27-44-48(40)41-23-10-12-26-43(41)56(44)51-49(42-24-11-14-29-46(42)61-51)50-52(56)62-47-30-15-13-28-45(47)60(50)39-21-8-3-9-22-39/h1-34H
InChIKeyMEIUIHPPDHMSOC-UHFFFAOYSA-N
XLogP13.51
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.91
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene] with MolForge

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Related Compounds

15-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]
CID 165387576
4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenylspiro[13-oxa-9-thia-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]
CID 165387590
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenylspiro[13-oxa-9-thia-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3(8),4,6,14,16,18-octaene-11,9'-fluorene]
CID 165387671
3-isocyano-2-(4-spiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-20-ylphenyl)benzonitrile
CID 165387657
2-[20-[4-(4-cyanophenyl)phenyl]spiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-3'-yl]benzonitrile
CID 165387664
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenylspiro[9-oxa-13-thia-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3(8),4,6,14,16,18-octaene-11,9'-fluorene]
CID 165387682
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-4-ylphenyl)pyrimidine
CID 134529213
10-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)phenothiazine
CID 134551337
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888
4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 146495788
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648601
4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine
CID 134529244

Frequently Asked Questions

What is the IUPAC name of 4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]?
The IUPAC name of 4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene] (CID 165387658) is 4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene].
What is the SMILES notation for 4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]?
The canonical SMILES for 4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene] is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4ccccc4C54C5=C(c6c4oc4ccccc64)N(c4ccccc4)c4ccccc4O5)cc3)n2)cc1.
What is the InChIKey of 4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]?
The InChIKey is MEIUIHPPDHMSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O2/c1-4-17-36(18-5-1)53-57-54(37-19-6-2-7-20-37)59-55(58-53)38-33-31-35(32-34-38)40-25-16-27-44-48(40)41-23-10-12-26-43(41)56(44)51-49(42-24-11-14-29-46(42)61-51)50-52(56)62-47-30-15-13-28-45(47)60(50)39-21-8-3-9-22-39/h1-34H.
What are the key properties of 4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]?
4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene] has a molecular weight of 794.91 g/mol, XLogP of 13.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene] is sourced from PubChem (CID 165387658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).