2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine

C45H30N2 — CID 167113564

IUPAC2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc5c(c6ccccc46)Cc4cccc(-c6ccccc6)c4-5)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H30N2/c1-4-14-30(15-5-1)36-25-13-22-35-27-40-38-24-11-10-23-37(38)39(28-41(40)44(35)36)33-20-12-21-34(26-33)43-29-42(31-16-6-2-7-17-31)46-45(47-43)32-18-8-3-9-19-32/h1-26,28-29H,27H2
InChIKeyIGYKADFCCYABEI-UHFFFAOYSA-N
MW598.75 g/mol
LogP11.54
Rot. Bonds5

About 2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine

2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine (PubChem CID 167113564) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine
PubChem CID167113564
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc5c(c6ccccc46)Cc4cccc(-c6ccccc6)c4-5)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H30N2/c1-4-14-30(15-5-1)36-25-13-22-35-27-40-38-24-11-10-23-37(38)39(28-41(40)44(35)36)33-20-12-21-34(26-33)43-29-42(31-16-6-2-7-17-31)46-45(47-43)32-18-8-3-9-19-32/h1-26,28-29H,27H2
InChIKeyIGYKADFCCYABEI-UHFFFAOYSA-N
XLogP11.54
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 ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diphenyl-6-[4-[3-(7-pyridin-2-yl-11H-benzo[a]fluoren-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 167113650
9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 158403329
4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 163836972
4,6-bis(3-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 89416701
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]pyrimidine
CID 164834780
6-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568779
2,4-diphenyl-6-[4-[3-[6-phenyl-2-[3-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-[6-phenyl-2-[4-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163852198
4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 145299161
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
2-[3-[2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167216324
4-[3,5-di(phenanthren-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 89416703
2,4-diphenyl-6-[3-[3-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613809

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine (CID 167113564) is 2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc(-c4cc5c(c6ccccc46)Cc4cccc(-c6ccccc6)c4-5)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine?
The InChIKey is IGYKADFCCYABEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-4-14-30(15-5-1)36-25-13-22-35-27-40-38-24-11-10-23-37(38)39(28-41(40)44(35)36)33-20-12-21-34(26-33)43-29-42(31-16-6-2-7-17-31)46-45(47-43)32-18-8-3-9-19-32/h1-26,28-29H,27H2.
What are the key properties of 2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine?
2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine has a molecular weight of 598.75 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-(7-phenyl-11H-benzo[a]fluoren-5-yl)phenyl]pyrimidine is sourced from PubChem (CID 167113564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).