4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine

C51H36N2 — CID 168777017

IUPAC4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)cc3)c21
InChIInChI=1S/C51H36N2/c1-51(2)46-31-38-19-10-9-18-37(38)30-45(46)44-23-13-22-40(49(44)51)34-26-24-33(25-27-34)39-28-29-43(42-21-12-11-20-41(39)42)48-32-47(35-14-5-3-6-15-35)52-50(53-48)36-16-7-4-8-17-36/h3-32H,1-2H3
InChIKeyJPVQMQCXYMUEAH-UHFFFAOYSA-N
MW676.86 g/mol
LogP13.42
Rot. Bonds5

About 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine

4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine (PubChem CID 168777017) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
PubChem CID168777017
Molecular FormulaC51H36N2
Molecular Weight676.86 g/mol
Exact Mass676.29
IUPAC Name4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)cc3)c21
InChIInChI=1S/C51H36N2/c1-51(2)46-31-38-19-10-9-18-37(38)30-45(46)44-23-13-22-40(49(44)51)34-26-24-33(25-27-34)39-28-29-43(42-21-12-11-20-41(39)42)48-32-47(35-14-5-3-6-15-35)52-50(53-48)36-16-7-4-8-17-36/h3-32H,1-2H3
InChIKeyJPVQMQCXYMUEAH-UHFFFAOYSA-N
XLogP13.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779131
4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168778444
4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 168777644
4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 168778651
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168778262
4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine
CID 168778157
4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 168777849
4-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168777321
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778095
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168779834
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168779638
2-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 168779483

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine (CID 168777017) is 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine is CC1(C)c2cc3ccccc3cc2-c2cccc(-c3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)cc3)c21.
What is the InChIKey of 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine?
The InChIKey is JPVQMQCXYMUEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2/c1-51(2)46-31-38-19-10-9-18-37(38)30-45(46)44-23-13-22-40(49(44)51)34-26-24-33(25-27-34)39-28-29-43(42-21-12-11-20-41(39)42)48-32-47(35-14-5-3-6-15-35)52-50(53-48)36-16-7-4-8-17-36/h3-32H,1-2H3.
What are the key properties of 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine?
4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine has a molecular weight of 676.86 g/mol, XLogP of 13.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 168777017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).