2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine

C49H36N2 — CID 126544505

IUPAC2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)n3)c21
InChIInChI=1S/C49H36N2/c1-49(2)44-31-38(35-19-10-5-11-20-35)27-28-41(44)42-25-14-26-43(47(42)49)48-50-45(39-23-12-21-36(29-39)33-15-6-3-7-16-33)32-46(51-48)40-24-13-22-37(30-40)34-17-8-4-9-18-34/h3-32H,1-2H3
InChIKeyNBOMUAYIOMVSDT-UHFFFAOYSA-N
MW652.84 g/mol
LogP12.78
Rot. Bonds6

About 2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine

2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine (PubChem CID 126544505) has the molecular formula C49H36N2 and a molecular weight of 652.84 g/mol. Its IUPAC name is 2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine
PubChem CID126544505
Molecular FormulaC49H36N2
Molecular Weight652.84 g/mol
Exact Mass652.29
IUPAC Name2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)n3)c21
InChIInChI=1S/C49H36N2/c1-49(2)44-31-38(35-19-10-5-11-20-35)27-28-41(44)42-25-14-26-43(47(42)49)48-50-45(39-23-12-21-36(29-39)33-15-6-3-7-16-33)32-46(51-48)40-24-13-22-37(30-40)34-17-8-4-9-18-34/h3-32H,1-2H3
InChIKeyNBOMUAYIOMVSDT-UHFFFAOYSA-N
XLogP12.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9,9-dimethylfluoren-1-yl)-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 126544515
4-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-bis(3-phenylphenyl)pyrimidine
CID 167344536
4-[4-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 167344597
2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167344623
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777
4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine
CID 168778157
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyridine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyridine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 158944197
2-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-4-(3-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168778076
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778095
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-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 168777849
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine?
The IUPAC name of 2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine (CID 126544505) is 2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine?
The canonical SMILES for 2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine is CC1(C)c2cc(-c3ccccc3)ccc2-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccccc5)c4)n3)c21.
What is the InChIKey of 2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine?
The InChIKey is NBOMUAYIOMVSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2/c1-49(2)44-31-38(35-19-10-5-11-20-35)27-28-41(44)42-25-14-26-43(47(42)49)48-50-45(39-23-12-21-36(29-39)33-15-6-3-7-16-33)32-46(51-48)40-24-13-22-37(30-40)34-17-8-4-9-18-34/h3-32H,1-2H3.
What are the key properties of 2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine?
2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine has a molecular weight of 652.84 g/mol, XLogP of 12.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 126544505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).