2-methyl-4-[6'-[2-(5-methyl-4-phenyl-3-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-6-naphthalen-1-yl-1,3,5-triazine

C57H38N4O — CID 167364415

IUPAC2-methyl-4-[6'-[2-(5-methyl-4-phenyl-3-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-6-naphthalen-1-yl-1,3,5-triazine
SMILESCc1nc(-c2ccc3c(c2)Oc2cc(-c4ccccc4-c4cncc(C)c4-c4ccccc4)ccc2C32c3ccccc3-c3ccccc32)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C57H38N4O/c1-35-33-58-34-47(54(35)38-16-4-3-5-17-38)43-21-9-8-20-42(43)39-27-29-50-52(31-39)62-53-32-40(55-59-36(2)60-56(61-55)46-24-14-18-37-15-6-7-19-41(37)46)28-30-51(53)57(50)48-25-12-10-22-44(48)45-23-11-13-26-49(45)57/h3-34H,1-2H3
InChIKeyCCCLVBWRXKYDGE-UHFFFAOYSA-N
MW794.96 g/mol
LogP13.84
Rot. Bonds5

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

2-methyl-4-[6'-[2-(5-methyl-4-phenyl-3-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-6-naphthalen-1-yl-1,3,5-triazine (PubChem CID 167364415) has the molecular formula C57H38N4O and a molecular weight of 794.96 g/mol. Its IUPAC name is 2-methyl-4-[6'-[2-(5-methyl-4-phenyl-3-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-6-naphthalen-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4-[6'-[2-(5-methyl-4-phenyl-3-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-6-naphthalen-1-yl-1,3,5-triazine
PubChem CID167364415
Molecular FormulaC57H38N4O
Molecular Weight794.96 g/mol
Exact Mass794.30
IUPAC Name2-methyl-4-[6'-[2-(5-methyl-4-phenyl-3-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-6-naphthalen-1-yl-1,3,5-triazine
SMILESCc1nc(-c2ccc3c(c2)Oc2cc(-c4ccccc4-c4cncc(C)c4-c4ccccc4)ccc2C32c3ccccc3-c3ccccc32)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C57H38N4O/c1-35-33-58-34-47(54(35)38-16-4-3-5-17-38)43-21-9-8-20-42(43)39-27-29-50-52(31-39)62-53-32-40(55-59-36(2)60-56(61-55)46-24-14-18-37-15-6-7-19-41(37)46)28-30-51(53)57(50)48-25-12-10-22-44(48)45-23-11-13-26-49(45)57/h3-34H,1-2H3
InChIKeyCCCLVBWRXKYDGE-UHFFFAOYSA-N
XLogP13.84
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.96
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[6'-[2-(5-methyl-4-phenyl-3-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-6-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-methyl-4-[3'-[2-[3-(4-methyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 167364470
8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 164793250
2-methyl-4-[3-[2-(4-methyl-5-phenyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-3'-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 167364152
2-naphthalen-1-yl-4-phenyl-6-spiro[hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene-23,9'-xanthene]-3'-yl-1,3,5-triazine
CID 163697005
5-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]isoquinoline
CID 146547947
2,4-diphenyl-6-[2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 160865421
3-[3-[4-[6'-(3-cyanophenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile
CID 146362166
2,4-diphenyl-6-[3-(3-spiro[benzo[b]xanthene-12,9'-fluorene]-3-ylphenyl)phenyl]-1,3,5-triazine
CID 155054955
CID 146495903
CID 146495903
7-[6'-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline
CID 155304735
2-[5'-[2-[3-(4,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-4,6-dimethyl-1,3,5-triazine
CID 167364747
2-naphthalen-1-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 146648554

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[6'-[2-(5-methyl-4-phenyl-3-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-6-naphthalen-1-yl-1,3,5-triazine?
The IUPAC name of 2-methyl-4-[6'-[2-(5-methyl-4-phenyl-3-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-6-naphthalen-1-yl-1,3,5-triazine (CID 167364415) is 2-methyl-4-[6'-[2-(5-methyl-4-phenyl-3-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-6-naphthalen-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4-[6'-[2-(5-methyl-4-phenyl-3-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-6-naphthalen-1-yl-1,3,5-triazine?
The canonical SMILES for 2-methyl-4-[6'-[2-(5-methyl-4-phenyl-3-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-6-naphthalen-1-yl-1,3,5-triazine is Cc1nc(-c2ccc3c(c2)Oc2cc(-c4ccccc4-c4cncc(C)c4-c4ccccc4)ccc2C32c3ccccc3-c3ccccc32)nc(-c2cccc3ccccc23)n1.
What is the InChIKey of 2-methyl-4-[6'-[2-(5-methyl-4-phenyl-3-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-6-naphthalen-1-yl-1,3,5-triazine?
The InChIKey is CCCLVBWRXKYDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4O/c1-35-33-58-34-47(54(35)38-16-4-3-5-17-38)43-21-9-8-20-42(43)39-27-29-50-52(31-39)62-53-32-40(55-59-36(2)60-56(61-55)46-24-14-18-37-15-6-7-19-41(37)46)28-30-51(53)57(50)48-25-12-10-22-44(48)45-23-11-13-26-49(45)57/h3-34H,1-2H3.
What are the key properties of 2-methyl-4-[6'-[2-(5-methyl-4-phenyl-3-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-6-naphthalen-1-yl-1,3,5-triazine?
2-methyl-4-[6'-[2-(5-methyl-4-phenyl-3-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-6-naphthalen-1-yl-1,3,5-triazine has a molecular weight of 794.96 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[6'-[2-(5-methyl-4-phenyl-3-pyridinyl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-6-naphthalen-1-yl-1,3,5-triazine is sourced from PubChem (CID 167364415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).