2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine

C90H62N4 — CID 58880915

IUPAC2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7nc(-c8cccc9ccccc89)cc(-c8cccc9ccccc89)n7)ccc5-6)cc4)cc3)ccc2-c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc21
InChIInChI=1S/C90H62N4/c1-89(2)79-49-63(41-45-71(79)73-47-43-65(51-81(73)89)87-91-83(75-29-13-21-59-17-5-9-25-67(59)75)53-84(92-87)76-30-14-22-60-18-6-10-26-68(60)76)57-37-33-55(34-38-57)56-35-39-58(40-36-56)64-42-46-72-74-48-44-66(52-82(74)90(3,4)80(72)50-64)88-93-85(77-31-15-23-61-19-7-11-27-69(61)77)54-86(94-88)78-32-16-24-62-20-8-12-28-70(62)78/h5-54H,1-4H3
InChIKeyONLVNPWVARFEMU-UHFFFAOYSA-N
MW1199.51 g/mol
LogP23.50
Rot. Bonds9

About 2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine

2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine (PubChem CID 58880915) has the molecular formula C90H62N4 and a molecular weight of 1199.51 g/mol. Its IUPAC name is 2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine
PubChem CID58880915
Molecular FormulaC90H62N4
Molecular Weight1199.51 g/mol
Exact Mass1198.50
IUPAC Name2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7nc(-c8cccc9ccccc89)cc(-c8cccc9ccccc89)n7)ccc5-6)cc4)cc3)ccc2-c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc21
InChIInChI=1S/C90H62N4/c1-89(2)79-49-63(41-45-71(79)73-47-43-65(51-81(73)89)87-91-83(75-29-13-21-59-17-5-9-25-67(59)75)53-84(92-87)76-30-14-22-60-18-6-10-26-68(60)76)57-37-33-55(34-38-57)56-35-39-58(40-36-56)64-42-46-72-74-48-44-66(52-82(74)90(3,4)80(72)50-64)88-93-85(77-31-15-23-61-19-7-11-27-69(61)77)54-86(94-88)78-32-16-24-62-20-8-12-28-70(62)78/h5-54H,1-4H3
InChIKeyONLVNPWVARFEMU-UHFFFAOYSA-N
XLogP23.50
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001199.51
LogP ≤ 523.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine with MolForge

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Related Compounds

2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777678
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168778898
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
2-(9,9-dimethylfluoren-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 162504612
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 168779978
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 168779418
2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465661
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168777428
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168778262
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813

Frequently Asked Questions

What is the IUPAC name of 2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine?
The IUPAC name of 2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine (CID 58880915) is 2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine.
What is the SMILES notation for 2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine?
The canonical SMILES for 2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine is CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7nc(-c8cccc9ccccc89)cc(-c8cccc9ccccc89)n7)ccc5-6)cc4)cc3)ccc2-c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc21.
What is the InChIKey of 2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine?
The InChIKey is ONLVNPWVARFEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H62N4/c1-89(2)79-49-63(41-45-71(79)73-47-43-65(51-81(73)89)87-91-83(75-29-13-21-59-17-5-9-25-67(59)75)53-84(92-87)76-30-14-22-60-18-6-10-26-68(60)76)57-37-33-55(34-38-57)56-35-39-58(40-36-56)64-42-46-72-74-48-44-66(52-82(74)90(3,4)80(72)50-64)88-93-85(77-31-15-23-61-19-7-11-27-69(61)77)54-86(94-88)78-32-16-24-62-20-8-12-28-70(62)78/h5-54H,1-4H3.
What are the key properties of 2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine?
2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine has a molecular weight of 1199.51 g/mol, XLogP of 23.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine is sourced from PubChem (CID 58880915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).