4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]

C56H36N4 — CID 146495788

IUPAC4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6N(c6ccccc6)c6ccccc65)cccc34)n2)cc1
InChIInChI=1S/C56H36N4/c1-4-19-37(20-5-1)53-57-54(38-21-6-2-7-22-38)59-55(58-53)44-30-17-26-40-41(27-16-28-42(40)44)43-29-18-34-49-52(43)45-25-10-11-31-46(45)56(49)47-32-12-14-35-50(47)60(39-23-8-3-9-24-39)51-36-15-13-33-48(51)56/h1-36H
InChIKeyYSSKLMPUQPKWHU-UHFFFAOYSA-N
MW764.93 g/mol
LogP13.84
Rot. Bonds5

About 4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]

4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 146495788) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
PubChem CID146495788
Molecular FormulaC56H36N4
Molecular Weight764.93 g/mol
Exact Mass764.29
IUPAC Name4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6N(c6ccccc6)c6ccccc65)cccc34)n2)cc1
InChIInChI=1S/C56H36N4/c1-4-19-37(20-5-1)53-57-54(38-21-6-2-7-22-38)59-55(58-53)44-30-17-26-40-41(27-16-28-42(40)44)43-29-18-34-49-52(43)45-25-10-11-31-46(45)56(49)47-32-12-14-35-50(47)60(39-23-8-3-9-24-39)51-36-15-13-33-48(51)56/h1-36H
InChIKeyYSSKLMPUQPKWHU-UHFFFAOYSA-N
XLogP13.84
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-phenyl-4'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 139521151
4'-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521327
4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 155333996
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 146495790
2-naphthalen-1-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146649139
10-phenyl-3'-(9-phenylcarbazol-2-yl)-5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 153224438
10-phenyl-4'-[10-(3-phenylnaphthalen-1-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]spiro[acridine-9,9'-fluorene]
CID 155332991
3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,9'-fluorene];3-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];4'-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];4'-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];10-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene];10-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 160944631
2'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263896
10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 139521203
1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 140910464
2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181

Frequently Asked Questions

What is the IUPAC name of 4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]?
The IUPAC name of 4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene] (CID 146495788) is 4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene].
What is the SMILES notation for 4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]?
The canonical SMILES for 4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene] is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6N(c6ccccc6)c6ccccc65)cccc34)n2)cc1.
What is the InChIKey of 4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]?
The InChIKey is YSSKLMPUQPKWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-4-19-37(20-5-1)53-57-54(38-21-6-2-7-22-38)59-55(58-53)44-30-17-26-40-41(27-16-28-42(40)44)43-29-18-34-49-52(43)45-25-10-11-31-46(45)56(49)47-32-12-14-35-50(47)60(39-23-8-3-9-24-39)51-36-15-13-33-48(51)56/h1-36H.
What are the key properties of 4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]?
4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 764.93 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 146495788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).