2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine

C61H48N2 — CID 58880891

IUPAC2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine
SMILESCC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(cc5-c5ccc(-c7ccccc7)cc5)C(C)(C)c5ccccc5-6)ccc3-4)ccc2-c2ccc(-c3ncccn3)cc21
InChIInChI=1S/C61H48N2/c1-59(2)52-16-11-10-15-44(52)51-35-49(50(36-57(51)59)39-19-17-38(18-20-39)37-13-8-7-9-14-37)42-23-27-47-45-25-21-40(31-53(45)60(3,4)55(47)33-42)41-22-26-46-48-28-24-43(58-62-29-12-30-63-58)34-56(48)61(5,6)54(46)32-41/h7-36H,1-6H3
InChIKeyPRJUPJKSKLRGBA-UHFFFAOYSA-N
MW809.07 g/mol
LogP15.73
Rot. Bonds5

About 2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine

2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine (PubChem CID 58880891) has the molecular formula C61H48N2 and a molecular weight of 809.07 g/mol. Its IUPAC name is 2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine.

Molecular Properties

Compound Name2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine
PubChem CID58880891
Molecular FormulaC61H48N2
Molecular Weight809.07 g/mol
Exact Mass808.38
IUPAC Name2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine
SMILESCC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(cc5-c5ccc(-c7ccccc7)cc5)C(C)(C)c5ccccc5-6)ccc3-4)ccc2-c2ccc(-c3ncccn3)cc21
InChIInChI=1S/C61H48N2/c1-59(2)52-16-11-10-15-44(52)51-35-49(50(36-57(51)59)39-19-17-38(18-20-39)37-13-8-7-9-14-37)42-23-27-47-45-25-21-40(31-53(45)60(3,4)55(47)33-42)41-22-26-46-48-28-24-43(58-62-29-12-30-63-58)34-56(48)61(5,6)54(46)32-41/h7-36H,1-6H3
InChIKeyPRJUPJKSKLRGBA-UHFFFAOYSA-N
XLogP15.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.07
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4-phenylphenyl]pyridine
CID 58880979
2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139400666
2-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146187818
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(11-pyrimidin-2-yl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl)phenyl]-1,3,5-triazine
CID 165151765
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 118426889
bis(2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine);2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161026217
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216

Frequently Asked Questions

What is the IUPAC name of 2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine?
The IUPAC name of 2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine (CID 58880891) is 2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine.
What is the SMILES notation for 2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine?
The canonical SMILES for 2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine is CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(cc5-c5ccc(-c7ccccc7)cc5)C(C)(C)c5ccccc5-6)ccc3-4)ccc2-c2ccc(-c3ncccn3)cc21.
What is the InChIKey of 2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine?
The InChIKey is PRJUPJKSKLRGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H48N2/c1-59(2)52-16-11-10-15-44(52)51-35-49(50(36-57(51)59)39-19-17-38(18-20-39)37-13-8-7-9-14-37)42-23-27-47-45-25-21-40(31-53(45)60(3,4)55(47)33-42)41-22-26-46-48-28-24-43(58-62-29-12-30-63-58)34-56(48)61(5,6)54(46)32-41/h7-36H,1-6H3.
What are the key properties of 2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine?
2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine has a molecular weight of 809.07 g/mol, XLogP of 15.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[7-[9,9-dimethyl-2-(4-phenylphenyl)fluoren-3-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrimidine is sourced from PubChem (CID 58880891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).