2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]

C55H34N4 — CID 137437785

IUPAC2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccc5)c5cc6c(cc5n4)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)c3)n2)cc1
InChIInChI=1S/C55H34N4/c1-4-17-35(18-5-1)43-33-50(38-23-16-24-39(31-38)54-58-52(36-19-6-2-7-20-36)57-53(59-54)37-21-8-3-9-22-37)56-51-34-49-44(32-45(43)51)42-27-12-15-30-48(42)55(49)46-28-13-10-25-40(46)41-26-11-14-29-47(41)55/h1-34H
InChIKeyRYCWQTYPEKBMNS-UHFFFAOYSA-N
MW750.91 g/mol
LogP13.10
Rot. Bonds5

About 2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]

2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline] (PubChem CID 137437785) has the molecular formula C55H34N4 and a molecular weight of 750.91 g/mol. Its IUPAC name is 2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline].

Molecular Properties

Compound Name2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]
PubChem CID137437785
Molecular FormulaC55H34N4
Molecular Weight750.91 g/mol
Exact Mass750.28
IUPAC Name2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccc5)c5cc6c(cc5n4)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)c3)n2)cc1
InChIInChI=1S/C55H34N4/c1-4-17-35(18-5-1)43-33-50(38-23-16-24-39(31-38)54-58-52(36-19-6-2-7-20-36)57-53(59-54)37-21-8-3-9-22-37)56-51-34-49-44(32-45(43)51)42-27-12-15-30-48(42)55(49)46-28-13-10-25-40(46)41-26-11-14-29-47(41)55/h1-34H
InChIKeyRYCWQTYPEKBMNS-UHFFFAOYSA-N
XLogP13.10
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.91
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline] with MolForge

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Related Compounds

4'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2'-(2-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-g]quinoline]
CID 146595249
4,10,10-triphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-g]quinoline
CID 137437790
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline
CID 146594822
4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-1-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2'-naphthalen-2-ylspiro[fluorene-9,10'-indeno[1,2-g]quinoline];4'-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-2'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]
CID 161079471
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline
CID 137437839
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(2-phenylphenyl)indeno[1,2-g]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(2-phenylphenyl)indeno[1,2-g]quinoline
CID 158004827
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
CID 137437836
4-[3-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-2,10,10-triphenylindeno[1,2-g]quinoline
CID 146595227
4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline
CID 146594841
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-2-(4-phenylnaphthalen-1-yl)indeno[1,2-g]quinoline
CID 146595020
10,10-dimethyl-2-(3-phenylphenyl)-4-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-g]quinoline
CID 146595217
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 139521321

Frequently Asked Questions

What is the IUPAC name of 2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]?
The IUPAC name of 2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline] (CID 137437785) is 2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline].
What is the SMILES notation for 2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]?
The canonical SMILES for 2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline] is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccc5)c5cc6c(cc5n4)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)c3)n2)cc1.
What is the InChIKey of 2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]?
The InChIKey is RYCWQTYPEKBMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4/c1-4-17-35(18-5-1)43-33-50(38-23-16-24-39(31-38)54-58-52(36-19-6-2-7-20-36)57-53(59-54)37-21-8-3-9-22-37)56-51-34-49-44(32-45(43)51)42-27-12-15-30-48(42)55(49)46-28-13-10-25-40(46)41-26-11-14-29-47(41)55/h1-34H.
What are the key properties of 2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]?
2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline] has a molecular weight of 750.91 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline] is sourced from PubChem (CID 137437785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).