4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine

C61H50N4 — CID 130439965

IUPAC4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine
SMILESC/C1=C(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)\C=C/C=C/C(C)(C)c2cccc(-c3ccc(C4=CC(c5ccccc5)=NC(c5ccccc5)N4)cc3)c2C1
InChIInChI=1S/C61H50N4/c1-42-39-53-52(44-32-36-48(37-33-44)58-41-56(46-21-10-5-11-22-46)63-60(65-58)50-25-14-7-15-26-50)28-18-29-54(53)61(2,3)38-17-16-27-51(42)43-30-34-47(35-31-43)57-40-55(45-19-8-4-9-20-45)62-59(64-57)49-23-12-6-13-24-49/h4-38,40-41,60,65H,39H2,1-3H3/b27-16-,38-17+,51-42-
InChIKeyHPCNXXNXEFELNR-RQZAVANLSA-N
MW839.10 g/mol
LogP14.70
Rot. Bonds8

About 4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine

4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 130439965) has the molecular formula C61H50N4 and a molecular weight of 839.10 g/mol. Its IUPAC name is 4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine
PubChem CID130439965
Molecular FormulaC61H50N4
Molecular Weight839.10 g/mol
Exact Mass838.40
IUPAC Name4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine
SMILESC/C1=C(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)\C=C/C=C/C(C)(C)c2cccc(-c3ccc(C4=CC(c5ccccc5)=NC(c5ccccc5)N4)cc3)c2C1
InChIInChI=1S/C61H50N4/c1-42-39-53-52(44-32-36-48(37-33-44)58-41-56(46-21-10-5-11-22-46)63-60(65-58)50-25-14-7-15-26-50)28-18-29-54(53)61(2,3)38-17-16-27-51(42)43-30-34-47(35-31-43)57-40-55(45-19-8-4-9-20-45)62-59(64-57)49-23-12-6-13-24-49/h4-38,40-41,60,65H,39H2,1-3H3/b27-16-,38-17+,51-42-
InChIKeyHPCNXXNXEFELNR-RQZAVANLSA-N
XLogP14.70
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.10
LogP ≤ 514.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine with MolForge

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Related Compounds

4-[4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]dibenzothiophen-1-yl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 142453202
2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146367432
4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine
CID 137388504
3-[7-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile
CID 142487970
4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 148755581
2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450705
4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine
CID 174243578
2-[4-[11,11-dimethyl-5-(4-phenylcyclohexa-1,3-dien-1-yl)benzo[b]fluoren-2-yl]phenyl]-4,6-diphenyl-1,2-dihydropyrimidine
CID 170411146
6-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-naphthalen-1-yl-2-phenyl-1,2-dihydropyrimidine
CID 137302868
4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine
CID 130392498
6-[4-[4-(12,12-dimethylspiro[4a,12a-dihydroindeno[1,2-b]fluorene-6,1'-cyclohexane]-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-2,4-diphenyl-1,2-dihydropyrimidine
CID 166902373
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine (CID 130439965) is 4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine is C/C1=C(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)\C=C/C=C/C(C)(C)c2cccc(-c3ccc(C4=CC(c5ccccc5)=NC(c5ccccc5)N4)cc3)c2C1.
What is the InChIKey of 4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine?
The InChIKey is HPCNXXNXEFELNR-RQZAVANLSA-N. The full InChI is InChI=1S/C61H50N4/c1-42-39-53-52(44-32-36-48(37-33-44)58-41-56(46-21-10-5-11-22-46)63-60(65-58)50-25-14-7-15-26-50)28-18-29-54(53)61(2,3)38-17-16-27-51(42)43-30-34-47(35-31-43)57-40-55(45-19-8-4-9-20-45)62-59(64-57)49-23-12-6-13-24-49/h4-38,40-41,60,65H,39H2,1-3H3/b27-16-,38-17+,51-42-.
What are the key properties of 4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine?
4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine has a molecular weight of 839.10 g/mol, XLogP of 14.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 130439965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).