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

C84H58N4 — CID 58880855

IUPAC2-[7-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6nc(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)n6)ccc4-5)cc3)ccc2-c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc21
InChIInChI=1S/C84H58N4/c1-83(2)73-45-57(37-41-65(73)67-43-39-59(47-75(67)83)81-85-77(69-29-13-21-53-17-5-9-25-61(53)69)49-78(86-81)70-30-14-22-54-18-6-10-26-62(54)70)51-33-35-52(36-34-51)58-38-42-66-68-44-40-60(48-76(68)84(3,4)74(66)46-58)82-87-79(71-31-15-23-55-19-7-11-27-63(55)71)50-80(88-82)72-32-16-24-56-20-8-12-28-64(56)72/h5-50H,1-4H3
InChIKeyBWVOZNYWNLXOIS-UHFFFAOYSA-N
MW1123.42 g/mol
LogP21.83
Rot. Bonds8

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

2-[7-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine (PubChem CID 58880855) has the molecular formula C84H58N4 and a molecular weight of 1123.42 g/mol. Its IUPAC name is 2-[7-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name2-[7-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine
PubChem CID58880855
Molecular FormulaC84H58N4
Molecular Weight1123.42 g/mol
Exact Mass1122.47
IUPAC Name2-[7-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6nc(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)n6)ccc4-5)cc3)ccc2-c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc21
InChIInChI=1S/C84H58N4/c1-83(2)73-45-57(37-41-65(73)67-43-39-59(47-75(67)83)81-85-77(69-29-13-21-53-17-5-9-25-61(53)69)49-78(86-81)70-30-14-22-54-18-6-10-26-62(54)70)51-33-35-52(36-34-51)58-38-42-66-68-44-40-60(48-76(68)84(3,4)74(66)46-58)82-87-79(71-31-15-23-55-19-7-11-27-63(55)71)50-80(88-82)72-32-16-24-56-20-8-12-28-64(56)72/h5-50H,1-4H3
InChIKeyBWVOZNYWNLXOIS-UHFFFAOYSA-N
XLogP21.83
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001123.42
LogP ≤ 521.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-Amino-6-naphthalen-1-yl-pyrimidin-4-yl)-6-naphthalen-1-yl-pyrimidin-2-amine
CID 340795
4-(2-Amino-6-naphthalen-2-yl-pyrimidin-4-yl)-6-naphthalen-2-yl-pyrimidin-2-amine
CID 340797
2,4-Dinaphthalen-1-ylquinazoline
CID 139229549
2,7-Bis[2-(4-t-butylphenyl)pyrimidin-5-yl]-9,9'-spirobifluorene
CID 69617487
4-(Naphthalen-2-yl)-2,6-diphenylpyrimidine
CID 71273254
4,6-Dimethyl-2-naphthalen-1-ylpyrimidine
CID 123358554
4,4'-[9,10-Anthracenediylbis(4-phenyl-6,2-quinazolinediyl)]dianiline
CID 3106717
4-(1,2-Dihydroacenaphthylen-5-yl)-6-(2-fluoropropan-2-yl)pyrimidin-2-amine
CID 21846287
4,5,6-Trifluoro-2-[5-(4,5,6-trifluoropyrimidin-2-yl)-12-heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]pyrimidine
CID 58479833
2,7-Bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-1,8-naphthyridine
CID 58771632
9-[4-[4-(9,9-Dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-3,6-difluorocarbazole
CID 67678128
4-[4-[1,1-Bis(4-fluorophenyl)inden-2-yl]phenyl]-2,6-dinaphthalen-2-ylpyrimidine
CID 71273578

Frequently Asked Questions

What is the IUPAC name of 2-[7-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine?
The IUPAC name of 2-[7-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine (CID 58880855) is 2-[7-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine.
What is the SMILES notation for 2-[7-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine?
The canonical SMILES for 2-[7-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine is CC1(C)c2cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6nc(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)n6)ccc4-5)cc3)ccc2-c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc21.
What is the InChIKey of 2-[7-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine?
The InChIKey is BWVOZNYWNLXOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H58N4/c1-83(2)73-45-57(37-41-65(73)67-43-39-59(47-75(67)83)81-85-77(69-29-13-21-53-17-5-9-25-61(53)69)49-78(86-81)70-30-14-22-54-18-6-10-26-62(54)70)51-33-35-52(36-34-51)58-38-42-66-68-44-40-60(48-76(68)84(3,4)74(66)46-58)82-87-79(71-31-15-23-55-19-7-11-27-63(55)71)50-80(88-82)72-32-16-24-56-20-8-12-28-64(56)72/h5-50H,1-4H3.
What are the key properties of 2-[7-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine?
2-[7-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine has a molecular weight of 1123.42 g/mol, XLogP of 21.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine is sourced from PubChem (CID 58880855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).