2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine

C63H42N2 — CID 165152292

IUPAC2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cc6ccccc6c6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)n3)c2)cc1
InChIInChI=1S/C63H42N2/c1-6-20-43(21-7-1)49-38-50(44-22-8-2-9-23-44)40-51(39-49)59-42-58(46-24-10-3-11-25-46)64-62(65-59)47-36-34-45(35-37-47)56-41-48-26-16-17-31-54(48)61-60(56)55-32-18-19-33-57(55)63(61,52-27-12-4-13-28-52)53-29-14-5-15-30-53/h1-42H
InChIKeyGJRMJZSZNKPECG-UHFFFAOYSA-N
MW827.04 g/mol
LogP15.99
Rot. Bonds8

About 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine

2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine (PubChem CID 165152292) has the molecular formula C63H42N2 and a molecular weight of 827.04 g/mol. Its IUPAC name is 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine
PubChem CID165152292
Molecular FormulaC63H42N2
Molecular Weight827.04 g/mol
Exact Mass826.33
IUPAC Name2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cc6ccccc6c6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)n3)c2)cc1
InChIInChI=1S/C63H42N2/c1-6-20-43(21-7-1)49-38-50(44-22-8-2-9-23-44)40-51(39-49)59-42-58(46-24-10-3-11-25-46)64-62(65-59)47-36-34-45(35-37-47)56-41-48-26-16-17-31-54(48)61-60(56)55-32-18-19-33-57(55)63(61,52-27-12-4-13-28-52)53-29-14-5-15-30-53/h1-42H
InChIKeyGJRMJZSZNKPECG-UHFFFAOYSA-N
XLogP15.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.04
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine
CID 165152038
4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 165151992
2-[3-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 165152200
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine
CID 165152262
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 165152062
2-(3,5-diphenylphenyl)-4-phenyl-6-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)-1,3,5-triazine
CID 165152132
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine
CID 165152143
2-(11,11-diphenylbenzo[a]fluoren-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 165152070
4,6-diphenyl-2-[4-(21-phenyl-21-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]pyrimidine
CID 134487417
2-phenyl-6-(3-phenylphenyl)-4-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyridine
CID 165152302
3-(11,11-diphenylbenzo[a]fluoren-6-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 165152126
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168776798

Frequently Asked Questions

What is the IUPAC name of 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine?
The IUPAC name of 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine (CID 165152292) is 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine?
The canonical SMILES for 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cc6ccccc6c6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)n3)c2)cc1.
What is the InChIKey of 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine?
The InChIKey is GJRMJZSZNKPECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2/c1-6-20-43(21-7-1)49-38-50(44-22-8-2-9-23-44)40-51(39-49)59-42-58(46-24-10-3-11-25-46)64-62(65-59)47-36-34-45(35-37-47)56-41-48-26-16-17-31-54(48)61-60(56)55-32-18-19-33-57(55)63(61,52-27-12-4-13-28-52)53-29-14-5-15-30-53/h1-42H.
What are the key properties of 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine?
2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine has a molecular weight of 827.04 g/mol, XLogP of 15.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 165152292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).