2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine

C50H31N3 — CID 165151929

IUPAC2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5ccccc5c5c4-c4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1
InChIInChI=1S/C50H31N3/c1-3-16-32(17-4-1)34-21-15-22-36(30-34)48-51-47(33-18-5-2-6-19-33)52-49(53-48)41-31-35-20-7-8-23-37(35)46-45(41)40-26-11-14-29-44(40)50(46)42-27-12-9-24-38(42)39-25-10-13-28-43(39)50/h1-31H
InChIKeyHPAZNGFMASFKMQ-UHFFFAOYSA-N
MW673.82 g/mol
LogP12.04
Rot. Bonds4

About 2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine

2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine (PubChem CID 165151929) has the molecular formula C50H31N3 and a molecular weight of 673.82 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine
PubChem CID165151929
Molecular FormulaC50H31N3
Molecular Weight673.82 g/mol
Exact Mass673.25
IUPAC Name2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5ccccc5c5c4-c4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1
InChIInChI=1S/C50H31N3/c1-3-16-32(17-4-1)34-21-15-22-36(30-34)48-51-47(33-18-5-2-6-19-33)52-49(53-48)41-31-35-20-7-8-23-37(35)46-45(41)40-26-11-14-29-44(40)50(46)42-27-12-9-24-38(42)39-25-10-13-28-43(39)50/h1-31H
InChIKeyHPAZNGFMASFKMQ-UHFFFAOYSA-N
XLogP12.04
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.82
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine
CID 165152179
2-(3,5-diphenylphenyl)-4-phenyl-6-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)-1,3,5-triazine
CID 165152132
2-(11,11-diphenylbenzo[a]fluoren-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 165152070
2-[3-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 165152200
2,4-diphenyl-6-[3-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614290
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 165152062
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 153287675
2-phenyl-6-(3-phenylphenyl)-4-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyridine
CID 165152302
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine
CID 155186323
2-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 165151926
2-naphthalen-1-yl-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648556
2-(11,11-diphenylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155465435

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine (CID 165151929) is 2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5ccccc5c5c4-c4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine?
The InChIKey is HPAZNGFMASFKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3/c1-3-16-32(17-4-1)34-21-15-22-36(30-34)48-51-47(33-18-5-2-6-19-33)52-49(53-48)41-31-35-20-7-8-23-37(35)46-45(41)40-26-11-14-29-44(40)50(46)42-27-12-9-24-38(42)39-25-10-13-28-43(39)50/h1-31H.
What are the key properties of 2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine?
2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine has a molecular weight of 673.82 g/mol, XLogP of 12.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine is sourced from PubChem (CID 165151929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).