2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine

C54H33N3 — CID 167359801

IUPAC2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccccc34)n2)cc1
InChIInChI=1S/C54H33N3/c1-2-17-35(18-3-1)51-55-52(45-28-14-19-34-16-4-5-20-36(34)45)57-53(56-51)46-33-32-39(37-21-6-7-22-38(37)46)43-26-15-27-44-42-25-10-13-31-49(42)54(50(43)44)47-29-11-8-23-40(47)41-24-9-12-30-48(41)54/h1-33H
InChIKeyCUAQSDVVJBLWOG-UHFFFAOYSA-N
MW723.88 g/mol
LogP13.19
Rot. Bonds4

About 2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine

2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 167359801) has the molecular formula C54H33N3 and a molecular weight of 723.88 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine
PubChem CID167359801
Molecular FormulaC54H33N3
Molecular Weight723.88 g/mol
Exact Mass723.27
IUPAC Name2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccccc34)n2)cc1
InChIInChI=1S/C54H33N3/c1-2-17-35(18-3-1)51-55-52(45-28-14-19-34-16-4-5-20-36(34)45)57-53(56-51)46-33-32-39(37-21-6-7-22-38(37)46)43-26-15-27-44-42-25-10-13-31-49(42)54(50(43)44)47-29-11-8-23-40(47)41-24-9-12-30-48(41)54/h1-33H
InChIKeyCUAQSDVVJBLWOG-UHFFFAOYSA-N
XLogP13.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.88
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 146649156
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 176587539
2,4-dinaphthalen-1-yl-6-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 167359765
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2-naphthalen-1-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146649139
8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146648983
2-naphthalen-1-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 146648554
2,4-dinaphthalen-1-yl-6-[6-(9,9'-spirobi[fluorene]-1'-yl)naphthalen-2-yl]-1,3,5-triazine
CID 146648292
CID 146495903
CID 146495903
2-phenyl-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine
CID 146649119
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine
CID 153357769

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine (CID 167359801) is 2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccccc34)n2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is CUAQSDVVJBLWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3/c1-2-17-35(18-3-1)51-55-52(45-28-14-19-34-16-4-5-20-36(34)45)57-53(56-51)46-33-32-39(37-21-6-7-22-38(37)46)43-26-15-27-44-42-25-10-13-31-49(42)54(50(43)44)47-29-11-8-23-40(47)41-24-9-12-30-48(41)54/h1-33H.
What are the key properties of 2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine?
2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 723.88 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 167359801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).