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

C54H40N2 — CID 168779140

IUPAC2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc7ccccc7cc5-6)c5ccccc45)n3)cc21
InChIInChI=1S/C54H40N2/c1-53(2)46-21-13-12-20-41(46)42-25-23-37(31-48(42)53)51-32-50(33-14-6-5-7-15-33)55-52(56-51)44-27-26-38(39-18-10-11-19-40(39)44)36-22-24-43-45-28-34-16-8-9-17-35(34)29-49(45)54(3,4)47(43)30-36/h5-32H,1-4H3
InChIKeyRXERATBNPJPOLR-UHFFFAOYSA-N
MW716.93 g/mol
LogP14.06
Rot. Bonds4

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

2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine (PubChem CID 168779140) has the molecular formula C54H40N2 and a molecular weight of 716.93 g/mol. Its IUPAC name is 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine
PubChem CID168779140
Molecular FormulaC54H40N2
Molecular Weight716.93 g/mol
Exact Mass716.32
IUPAC Name2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc7ccccc7cc5-6)c5ccccc45)n3)cc21
InChIInChI=1S/C54H40N2/c1-53(2)46-21-13-12-20-41(46)42-25-23-37(31-48(42)53)51-32-50(33-14-6-5-7-15-33)55-52(56-51)44-27-26-38(39-18-10-11-19-40(39)44)36-22-24-43-45-28-34-16-8-9-17-35(34)29-49(45)54(3,4)47(43)30-36/h5-32H,1-4H3
InChIKeyRXERATBNPJPOLR-UHFFFAOYSA-N
XLogP14.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.93
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168778998
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 168779406
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168777428
2-[4-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 168777582
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 168779978
2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 155465513
2-[4-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 168779483
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168778262
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine
CID 130355500
2-[4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168779041
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-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778832

Frequently Asked Questions

What is the IUPAC name of 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine?
The IUPAC name of 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine (CID 168779140) is 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine.
What is the SMILES notation for 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine?
The canonical SMILES for 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc7ccccc7cc5-6)c5ccccc45)n3)cc21.
What is the InChIKey of 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine?
The InChIKey is RXERATBNPJPOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2/c1-53(2)46-21-13-12-20-41(46)42-25-23-37(31-48(42)53)51-32-50(33-14-6-5-7-15-33)55-52(56-51)44-27-26-38(39-18-10-11-19-40(39)44)36-22-24-43-45-28-34-16-8-9-17-35(34)29-49(45)54(3,4)47(43)30-36/h5-32H,1-4H3.
What are the key properties of 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine?
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine has a molecular weight of 716.93 g/mol, XLogP of 14.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine is sourced from PubChem (CID 168779140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).