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

C45H30N2 — CID 165152262

IUPAC4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc4ccccc4c4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H30N2/c1-5-17-31(18-6-1)40-30-41(47-44(46-40)32-19-7-2-8-20-32)38-29-33-21-13-14-26-36(33)43-42(38)37-27-15-16-28-39(37)45(43,34-22-9-3-10-23-34)35-24-11-4-12-25-35/h1-30H
InChIKeyRNYROVYOUARFQT-UHFFFAOYSA-N
MW598.75 g/mol
LogP10.99
Rot. Bonds5

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

4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine (PubChem CID 165152262) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine
PubChem CID165152262
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc4ccccc4c4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H30N2/c1-5-17-31(18-6-1)40-30-41(47-44(46-40)32-19-7-2-8-20-32)38-29-33-21-13-14-26-36(33)43-42(38)37-27-15-16-28-39(37)45(43,34-22-9-3-10-23-34)35-24-11-4-12-25-35/h1-30H
InChIKeyRNYROVYOUARFQT-UHFFFAOYSA-N
XLogP10.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 510.99
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-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 165152062
2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 165152292
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-[3-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 165152200
4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 165151992
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
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168779870
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine
CID 155465809
4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine
CID 165152179

Frequently Asked Questions

What is the IUPAC name of 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine?
The IUPAC name of 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine (CID 165152262) is 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine?
The canonical SMILES for 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3cc4ccccc4c4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine?
The InChIKey is RNYROVYOUARFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-5-17-31(18-6-1)40-30-41(47-44(46-40)32-19-7-2-8-20-32)38-29-33-21-13-14-26-36(33)43-42(38)37-27-15-16-28-39(37)45(43,34-22-9-3-10-23-34)35-24-11-4-12-25-35/h1-30H.
What are the key properties of 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine?
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine has a molecular weight of 598.75 g/mol, XLogP of 10.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-diphenylpyrimidine is sourced from PubChem (CID 165152262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).