8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]isoquinoline

C55H34N4O — CID 146547151

IUPAC8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]isoquinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4Oc4c(-c6cccc7ccncc67)cccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C55H34N4O/c1-3-14-37(15-4-1)52-57-53(38-16-5-2-6-17-38)59-54(58-52)39-30-28-36(29-31-39)40-21-12-26-48-50(40)60-51-44(41-22-11-18-35-32-33-56-34-45(35)41)23-13-27-49(51)55(48)46-24-9-7-19-42(46)43-20-8-10-25-47(43)55/h1-34H
InChIKeyWTPLMSXCPXSOSX-UHFFFAOYSA-N
MW766.90 g/mol
LogP13.22
Rot. Bonds5

About 8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]isoquinoline

8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]isoquinoline (PubChem CID 146547151) has the molecular formula C55H34N4O and a molecular weight of 766.90 g/mol. Its IUPAC name is 8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]isoquinoline.

Molecular Properties

Compound Name8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]isoquinoline
PubChem CID146547151
Molecular FormulaC55H34N4O
Molecular Weight766.90 g/mol
Exact Mass766.27
IUPAC Name8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]isoquinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4Oc4c(-c6cccc7ccncc67)cccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C55H34N4O/c1-3-14-37(15-4-1)52-57-53(38-16-5-2-6-17-38)59-54(58-52)39-30-28-36(29-31-39)40-21-12-26-48-50(40)60-51-44(41-22-11-18-35-32-33-56-34-45(35)41)23-13-27-49(51)55(48)46-24-9-7-19-42(46)43-20-8-10-25-47(43)55/h1-34H
InChIKeyWTPLMSXCPXSOSX-UHFFFAOYSA-N
XLogP13.22
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.90
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547205
CID 146184431
CID 146184431
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 137388725
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379042
8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547203
2-[4'-[4-(3-methyl-4-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 167364613
4-[5'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-1-carbonitrile
CID 146362173
8-[4-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]thioxanthen-9-yl]phenyl]isoquinoline
CID 164793220
4,6-diphenyl-2-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)pyrimidine
CID 139306402
5-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]isoquinoline
CID 146547947
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 176587539
5-[4-[5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzene-1,3-dicarbonitrile
CID 146362301

Frequently Asked Questions

What is the IUPAC name of 8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]isoquinoline?
The IUPAC name of 8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]isoquinoline (CID 146547151) is 8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]isoquinoline.
What is the SMILES notation for 8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]isoquinoline?
The canonical SMILES for 8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]isoquinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4Oc4c(-c6cccc7ccncc67)cccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]isoquinoline?
The InChIKey is WTPLMSXCPXSOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O/c1-3-14-37(15-4-1)52-57-53(38-16-5-2-6-17-38)59-54(58-52)39-30-28-36(29-31-39)40-21-12-26-48-50(40)60-51-44(41-22-11-18-35-32-33-56-34-45(35)41)23-13-27-49(51)55(48)46-24-9-7-19-42(46)43-20-8-10-25-47(43)55/h1-34H.
What are the key properties of 8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]isoquinoline?
8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]isoquinoline has a molecular weight of 766.90 g/mol, XLogP of 13.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]isoquinoline is sourced from PubChem (CID 146547151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).