4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine

C41H30N2 — CID 123394008

IUPAC4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine
SMILESC1=C(C2=NC(c3ccccc3)C=C(c3ccccc3)N2)CCC2=C1C1(c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C41H30N2/c1-3-13-27(14-4-1)38-26-39(28-15-5-2-6-16-28)43-40(42-38)29-23-24-33-32-19-9-12-22-36(32)41(37(33)25-29)34-20-10-7-17-30(34)31-18-8-11-21-35(31)41/h1-22,25-26,38H,23-24H2,(H,42,43)
InChIKeyQPAWLHHJCPTWQU-UHFFFAOYSA-N
MW550.71 g/mol
LogP9.27
Rot. Bonds3

About 4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine

4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine (PubChem CID 123394008) has the molecular formula C41H30N2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine
PubChem CID123394008
Molecular FormulaC41H30N2
Molecular Weight550.71 g/mol
Exact Mass550.24
IUPAC Name4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine
SMILESC1=C(C2=NC(c3ccccc3)C=C(c3ccccc3)N2)CCC2=C1C1(c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C41H30N2/c1-3-13-27(14-4-1)38-26-39(28-15-5-2-6-16-28)43-40(42-38)29-23-24-33-32-19-9-12-22-36(32)41(37(33)25-29)34-20-10-7-17-30(34)31-18-8-11-21-35(31)41/h1-22,25-26,38H,23-24H2,(H,42,43)
InChIKeyQPAWLHHJCPTWQU-UHFFFAOYSA-N
XLogP9.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.71
LogP ≤ 59.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine 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-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine
CID 135247165
6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine
CID 135247245
4-phenyl-6-(2-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 148834800
8-[7'-[3-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]-3,4-dihydroquinoline
CID 146547554
10-phenyl-2'-[3-[4-phenyl-2-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263663
10-phenyl-2'-[2-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263552
4,6-bis(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 137388370
4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine
CID 134303848
4-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-1,4-dihydropyrimidin-6-yl]benzonitrile
CID 142504438
N-naphthalen-1-yl-N-(4-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylphenyl)naphthalen-1-amine
CID 66807487
2-phenyl-5-[4-[2-[2-(9-phenyl-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole
CID 89091015

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine?
The IUPAC name of 4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine (CID 123394008) is 4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine?
The canonical SMILES for 4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine is C1=C(C2=NC(c3ccccc3)C=C(c3ccccc3)N2)CCC2=C1C1(c3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of 4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine?
The InChIKey is QPAWLHHJCPTWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2/c1-3-13-27(14-4-1)38-26-39(28-15-5-2-6-16-28)43-40(42-38)29-23-24-33-32-19-9-12-22-36(32)41(37(33)25-29)34-20-10-7-17-30(34)31-18-8-11-21-35(31)41/h1-22,25-26,38H,23-24H2,(H,42,43).
What are the key properties of 4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine?
4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine has a molecular weight of 550.71 g/mol, XLogP of 9.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine is sourced from PubChem (CID 123394008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).