4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine

C60H44N2 — CID 168778780

IUPAC4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
SMILESCC1(C)c2ccc(-c3ccc(-c4ccc(-c5cc(-c6cccc7c6-c6ccccc6C7(C)C)nc(-c6ccccc6)n5)c5ccccc45)cc3)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C60H44N2/c1-59(2)51-23-13-12-21-47(51)57-48(22-14-24-53(57)59)56-36-55(61-58(62-56)39-15-6-5-7-16-39)46-31-30-43(44-19-10-11-20-45(44)46)38-27-25-37(26-28-38)42-29-32-52-49(34-42)50-33-40-17-8-9-18-41(40)35-54(50)60(52,3)4/h5-36H,1-4H3
InChIKeyBOITXFWKLMMDFT-UHFFFAOYSA-N
MW793.03 g/mol
LogP15.73
Rot. Bonds5

About 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine

4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine (PubChem CID 168778780) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
PubChem CID168778780
Molecular FormulaC60H44N2
Molecular Weight793.03 g/mol
Exact Mass792.35
IUPAC Name4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
SMILESCC1(C)c2ccc(-c3ccc(-c4ccc(-c5cc(-c6cccc7c6-c6ccccc6C7(C)C)nc(-c6ccccc6)n5)c5ccccc45)cc3)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C60H44N2/c1-59(2)51-23-13-12-21-47(51)57-48(22-14-24-53(57)59)56-36-55(61-58(62-56)39-15-6-5-7-16-39)46-31-30-43(44-19-10-11-20-45(44)46)38-27-25-37(26-28-38)42-29-32-52-49(34-42)50-33-40-17-8-9-18-41(40)35-54(50)60(52,3)4/h5-36H,1-4H3
InChIKeyBOITXFWKLMMDFT-UHFFFAOYSA-N
XLogP15.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.03
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine 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

4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168777302
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
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]pyrimidine
CID 176793365
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[4-(3,4-diphenylphenyl)phenyl]-2-phenylpyrimidine
CID 176794885
4-[4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]naphthalen-1-yl]-6-(2,4-diphenylphenyl)-2-phenylpyrimidine
CID 168778978
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 168779616
4-[4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 176795306
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-2-phenylpyrimidine
CID 176793584
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168779685
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[2-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 176793199
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine
CID 176794287

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine?
The IUPAC name of 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine (CID 168778780) is 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine.
What is the SMILES notation for 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine?
The canonical SMILES for 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine is CC1(C)c2ccc(-c3ccc(-c4ccc(-c5cc(-c6cccc7c6-c6ccccc6C7(C)C)nc(-c6ccccc6)n5)c5ccccc45)cc3)cc2-c2cc3ccccc3cc21.
What is the InChIKey of 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine?
The InChIKey is BOITXFWKLMMDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-59(2)51-23-13-12-21-47(51)57-48(22-14-24-53(57)59)56-36-55(61-58(62-56)39-15-6-5-7-16-39)46-31-30-43(44-19-10-11-20-45(44)46)38-27-25-37(26-28-38)42-29-32-52-49(34-42)50-33-40-17-8-9-18-41(40)35-54(50)60(52,3)4/h5-36H,1-4H3.
What are the key properties of 4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine?
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine has a molecular weight of 793.03 g/mol, XLogP of 15.73, 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[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine is sourced from PubChem (CID 168778780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).