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

C54H33N3 — CID 167359528

IUPAC2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
SMILESc1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C54H33N3/c1-3-14-36-30-41(26-24-34(36)12-1)52-55-51(56-53(57-52)42-27-25-35-13-2-4-15-37(35)31-42)40-17-11-16-38(32-40)39-28-29-50-46(33-39)45-20-7-10-23-49(45)54(50)47-21-8-5-18-43(47)44-19-6-9-22-48(44)54/h1-33H
InChIKeyMGCHXXRTBHMZTH-UHFFFAOYSA-N
MW723.88 g/mol
LogP13.19
Rot. Bonds4

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

2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine (PubChem CID 167359528) has the molecular formula C54H33N3 and a molecular weight of 723.88 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
PubChem CID167359528
Molecular FormulaC54H33N3
Molecular Weight723.88 g/mol
Exact Mass723.27
IUPAC Name2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
SMILESc1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C54H33N3/c1-3-14-36-30-41(26-24-34(36)12-1)52-55-51(56-53(57-52)42-27-25-35-13-2-4-15-37(35)31-42)40-17-11-16-38(32-40)39-28-29-50-46(33-39)45-20-7-10-23-49(45)54(50)47-21-8-5-18-43(47)44-19-6-9-22-48(44)54/h1-33H
InChIKeyMGCHXXRTBHMZTH-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 2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-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-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 153302549
2-(9,9-diphenylfluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149082665
2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 171592063
2-(3,5-diphenylphenyl)-4-[3-[3-[3-[3-[3-[4-[3-(3,5-diphenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]phenyl]-5-phenylphenyl]phenyl]-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 167284789
2,4-diphenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 130261102
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
4,6-diphenyl-2-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)pyrimidine
CID 153357817
2-(3,5-diphenylphenyl)-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]-3-yl-1,3,5-triazine
CID 153357827
2-(3,5-diphenylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 159713077
2-[3-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166995942
2-(9,9-diphenylfluoren-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 122416353
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 171592076

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine (CID 167359528) is 2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine is c1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine?
The InChIKey is MGCHXXRTBHMZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3/c1-3-14-36-30-41(26-24-34(36)12-1)52-55-51(56-53(57-52)42-27-25-35-13-2-4-15-37(35)31-42)40-17-11-16-38(32-40)39-28-29-50-46(33-39)45-20-7-10-23-49(45)54(50)47-21-8-5-18-43(47)44-19-6-9-22-48(44)54/h1-33H.
What are the key properties of 2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-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 2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 167359528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).