2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-1,3,5-triazine

C52H33N3O — CID 142602973

IUPAC2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4-c4ccccc4C4(O5)c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C52H33N3O/c1-3-16-34(17-4-1)38-20-7-8-23-42(38)51-54-49(36-18-5-2-6-19-36)53-50(55-51)37-32-30-35(31-33-37)39-25-15-29-47-48(39)43-24-11-14-28-46(43)52(56-47)44-26-12-9-21-40(44)41-22-10-13-27-45(41)52/h1-33H
InChIKeyAPNRWPAPBPGFQO-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.54
Rot. Bonds5

About 2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-1,3,5-triazine

2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-1,3,5-triazine (PubChem CID 142602973) has the molecular formula C52H33N3O and a molecular weight of 715.86 g/mol. Its IUPAC name is 2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-1,3,5-triazine
PubChem CID142602973
Molecular FormulaC52H33N3O
Molecular Weight715.86 g/mol
Exact Mass715.26
IUPAC Name2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4-c4ccccc4C4(O5)c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C52H33N3O/c1-3-16-34(17-4-1)38-20-7-8-23-42(38)51-54-49(36-18-5-2-6-19-36)53-50(55-51)37-32-30-35(31-33-37)39-25-15-29-47-48(39)43-24-11-14-28-46(43)52(56-47)44-26-12-9-21-40(44)41-22-10-13-27-45(41)52/h1-33H
InChIKeyAPNRWPAPBPGFQO-UHFFFAOYSA-N
XLogP12.54
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-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

CID 174132160
CID 174132160
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888
2-phenyl-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine
CID 146649119
2-dibenzothiophen-4-yl-4-[4-(6,6-dimethylbenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170245148
2,4-bis(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl-1,3,5-triazine;2-(2-phenylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl-1,3,5-triazine;2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl-1,3,5-triazine
CID 159964451
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 159399001
2-(2-phenylphenyl)-4,6-di(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,3,5-triazine
CID 174271533
2-(4-phenylphenyl)-4-[2-(4-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052368
2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 122416348
2-phenyl-4-(2-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 167177813
2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171052479
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 122423525

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-1,3,5-triazine (CID 142602973) is 2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4cccc5c4-c4ccccc4C4(O5)c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-1,3,5-triazine?
The InChIKey is APNRWPAPBPGFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O/c1-3-16-34(17-4-1)38-20-7-8-23-42(38)51-54-49(36-18-5-2-6-19-36)53-50(55-51)37-32-30-35(31-33-37)39-25-15-29-47-48(39)43-24-11-14-28-46(43)52(56-47)44-26-12-9-21-40(44)41-22-10-13-27-45(41)52/h1-33H.
What are the key properties of 2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-1,3,5-triazine?
2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-1,3,5-triazine has a molecular weight of 715.86 g/mol, XLogP of 12.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2-phenylphenyl)-6-(4-spiro[benzo[c]chromene-6,9'-fluorene]-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 142602973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).