4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine

C58H48N2 — CID 166903112

IUPAC4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1cc(-c2ccc(C4=CCC(c5cc(-c6ccc(C7=CC=CCC7)cc6)nc(-c6ccccc6)n5)C=C4)cc2)ccc1C3(C)C
InChIInChI=1S/C58H48N2/c1-57(2)50-18-12-11-17-46(50)48-34-53-49(35-52(48)57)47-33-45(31-32-51(47)58(53,3)4)41-21-19-39(20-22-41)40-25-29-43(30-26-40)55-36-54(59-56(60-55)44-15-9-6-10-16-44)42-27-23-38(24-28-42)37-13-7-5-8-14-37/h5-7,9-13,15-29,31-36,43H,8,14,30H2,1-4H3
InChIKeyXFSRWXJZDBQPMN-UHFFFAOYSA-N
MW773.04 g/mol
LogP14.95
Rot. Bonds6

About 4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine

4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine (PubChem CID 166903112) has the molecular formula C58H48N2 and a molecular weight of 773.04 g/mol. Its IUPAC name is 4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine
PubChem CID166903112
Molecular FormulaC58H48N2
Molecular Weight773.04 g/mol
Exact Mass772.38
IUPAC Name4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1cc(-c2ccc(C4=CCC(c5cc(-c6ccc(C7=CC=CCC7)cc6)nc(-c6ccccc6)n5)C=C4)cc2)ccc1C3(C)C
InChIInChI=1S/C58H48N2/c1-57(2)50-18-12-11-17-46(50)48-34-53-49(35-52(48)57)47-33-45(31-32-51(47)58(53,3)4)41-21-19-39(20-22-41)40-25-29-43(30-26-40)55-36-54(59-56(60-55)44-15-9-6-10-16-44)42-27-23-38(24-28-42)37-13-7-5-8-14-37/h5-7,9-13,15-29,31-36,43H,8,14,30H2,1-4H3
InChIKeyXFSRWXJZDBQPMN-UHFFFAOYSA-N
XLogP14.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.04
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine with MolForge

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Related Compounds

2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450705
4-[9',9'-dimethyl-6-[4-[4-(3-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]spiro[7,8-dihydrofluorene-9,10'-anthracene]-4-yl]-2,6-diphenylpyrimidine
CID 155475733
2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
CID 142381891
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 167344610
2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 167344461
2-cyclohexa-1,3-dien-1-yl-4-(9,9-dimethyl-6'-naphthalen-2-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-phenylpyrimidine
CID 155475702
2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158946887
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 167344491
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine;2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 162132330
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
12,12,20,20-tetramethyl-9-naphthalen-2-yl-16-phenyl-2-(4-phenylcyclohexa-2,4-dien-1-yl)heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaene
CID 91079883

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine?
The IUPAC name of 4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine (CID 166903112) is 4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine.
What is the SMILES notation for 4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine?
The canonical SMILES for 4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1cc(-c2ccc(C4=CCC(c5cc(-c6ccc(C7=CC=CCC7)cc6)nc(-c6ccccc6)n5)C=C4)cc2)ccc1C3(C)C.
What is the InChIKey of 4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine?
The InChIKey is XFSRWXJZDBQPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N2/c1-57(2)50-18-12-11-17-46(50)48-34-53-49(35-52(48)57)47-33-45(31-32-51(47)58(53,3)4)41-21-19-39(20-22-41)40-25-29-43(30-26-40)55-36-54(59-56(60-55)44-15-9-6-10-16-44)42-27-23-38(24-28-42)37-13-7-5-8-14-37/h5-7,9-13,15-29,31-36,43H,8,14,30H2,1-4H3.
What are the key properties of 4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine?
4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine has a molecular weight of 773.04 g/mol, XLogP of 14.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine is sourced from PubChem (CID 166903112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).