4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine

C51H34N2 — CID 165152038

IUPAC4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cc5ccccc5c5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C51H34N2/c1-5-17-36(18-6-1)46-34-47(53-50(52-46)38-19-7-2-8-20-38)37-31-29-35(30-32-37)44-33-39-21-13-14-26-42(39)49-48(44)43-27-15-16-28-45(43)51(49,40-22-9-3-10-23-40)41-24-11-4-12-25-41/h1-34H
InChIKeyWYKDEBDCQVXDDR-UHFFFAOYSA-N
MW674.85 g/mol
LogP12.66
Rot. Bonds6

About 4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine

4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 165152038) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine
PubChem CID165152038
Molecular FormulaC51H34N2
Molecular Weight674.85 g/mol
Exact Mass674.27
IUPAC Name4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cc5ccccc5c5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C51H34N2/c1-5-17-36(18-6-1)46-34-47(53-50(52-46)38-19-7-2-8-20-38)37-31-29-35(30-32-37)44-33-39-21-13-14-26-42(39)49-48(44)43-27-15-16-28-45(43)51(49,40-22-9-3-10-23-40)41-24-11-4-12-25-41/h1-34H
InChIKeyWYKDEBDCQVXDDR-UHFFFAOYSA-N
XLogP12.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 165152292
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine
CID 165152262
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
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
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 165152062
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyridine
CID 165152143
3-(11,11-diphenylbenzo[a]fluoren-6-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 165152126
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)-N,N-diphenylaniline
CID 170412944
2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline
CID 165152115

Frequently Asked Questions

What is the IUPAC name of 4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine (CID 165152038) is 4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccc(-c4cc5ccccc5c5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine?
The InChIKey is WYKDEBDCQVXDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2/c1-5-17-36(18-6-1)46-34-47(53-50(52-46)38-19-7-2-8-20-38)37-31-29-35(30-32-37)44-33-39-21-13-14-26-42(39)49-48(44)43-27-15-16-28-45(43)51(49,40-22-9-3-10-23-40)41-24-11-4-12-25-41/h1-34H.
What are the key properties of 4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine?
4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine has a molecular weight of 674.85 g/mol, XLogP of 12.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 165152038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).