9,9-dimethyl-7-[3-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-3-carbonitrile;7-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluorene-3-carbonitrile;2-[4-[3-(7-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-dinaphthalen-2-ylpyrimidine

C146H101N9 — CID 163715726

IUPAC9,9-dimethyl-7-[3-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-3-carbonitrile;7-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluorene-3-carbonitrile;2-[4-[3-(7-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-dinaphthalen-2-ylpyrimidine
SMILESCC1(C)c2ccc(C#N)cc2-c2ccc(-c3cccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)c3)cc21.CC1(C)c2ccc(C#N)cc2-c2ccc(-c3cccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)cc21.[C-]#[N+]c1ccc2c(c1)C(C)(C)c1cccc(-c3cccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)cc4)c3)c1-2
InChIInChI=1S/C52H35N3.C50H35N3.C44H31N3/c1-52(2)46-17-9-16-44(50(46)45-27-26-43(53-3)31-47(45)52)40-15-8-14-39(28-40)35-18-22-36(23-19-35)51-54-48(41-24-20-33-10-4-6-12-37(33)29-41)32-49(55-51)42-25-21-34-11-5-7-13-38(34)30-42;1-50(2)45-26-19-33(32-51)27-44(45)43-25-24-41(30-46(43)50)40-17-9-15-38(28-40)35-20-22-37(23-21-35)48-31-47(36-13-7-4-8-14-36)52-49(53-48)42-18-10-16-39(29-42)34-11-5-3-6-12-34;1-44(2)39-23-16-29(28-45)24-38(39)37-22-21-36(26-40(37)44)35-15-9-14-34(25-35)30-17-19-32(20-18-30)42-27-41(31-10-5-3-6-11-31)46-43(47-42)33-12-7-4-8-13-33/h4-32H,1-2H3;3-31H,1-2H3;3-27H,1-2H3
InChIKeyKNDWUBCBMHJOKW-UHFFFAOYSA-N
MW1981.48 g/mol
LogP37.62
Rot. Bonds16

About 9,9-dimethyl-7-[3-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-3-carbonitrile;7-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluorene-3-carbonitrile;2-[4-[3-(7-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-dinaphthalen-2-ylpyrimidine

9,9-dimethyl-7-[3-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-3-carbonitrile;7-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluorene-3-carbonitrile;2-[4-[3-(7-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-dinaphthalen-2-ylpyrimidine (PubChem CID 163715726) has the molecular formula C146H101N9 and a molecular weight of 1981.48 g/mol. Its IUPAC name is 9,9-dimethyl-7-[3-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-3-carbonitrile;7-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluorene-3-carbonitrile;2-[4-[3-(7-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-dinaphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name9,9-dimethyl-7-[3-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-3-carbonitrile;7-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluorene-3-carbonitrile;2-[4-[3-(7-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-dinaphthalen-2-ylpyrimidine
PubChem CID163715726
Molecular FormulaC146H101N9
Molecular Weight1981.48 g/mol
Exact Mass1979.82
IUPAC Name9,9-dimethyl-7-[3-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-3-carbonitrile;7-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluorene-3-carbonitrile;2-[4-[3-(7-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-dinaphthalen-2-ylpyrimidine
SMILESCC1(C)c2ccc(C#N)cc2-c2ccc(-c3cccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)c3)cc21.CC1(C)c2ccc(C#N)cc2-c2ccc(-c3cccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)cc21.[C-]#[N+]c1ccc2c(c1)C(C)(C)c1cccc(-c3cccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)cc4)c3)c1-2
InChIInChI=1S/C52H35N3.C50H35N3.C44H31N3/c1-52(2)46-17-9-16-44(50(46)45-27-26-43(53-3)31-47(45)52)40-15-8-14-39(28-40)35-18-22-36(23-19-35)51-54-48(41-24-20-33-10-4-6-12-37(33)29-41)32-49(55-51)42-25-21-34-11-5-7-13-38(34)30-42;1-50(2)45-26-19-33(32-51)27-44(45)43-25-24-41(30-46(43)50)40-17-9-15-38(28-40)35-20-22-37(23-21-35)48-31-47(36-13-7-4-8-14-36)52-49(53-48)42-18-10-16-39(29-42)34-11-5-3-6-12-34;1-44(2)39-23-16-29(28-45)24-38(39)37-22-21-36(26-40(37)44)35-15-9-14-34(25-35)30-17-19-32(20-18-30)42-27-41(31-10-5-3-6-11-31)46-43(47-42)33-12-7-4-8-13-33/h4-32H,1-2H3;3-31H,1-2H3;3-27H,1-2H3
InChIKeyKNDWUBCBMHJOKW-UHFFFAOYSA-N
XLogP37.62
TPSA129.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001981.48
LogP ≤ 537.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 9,9-dimethyl-7-[3-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-3-carbonitrile;7-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluorene-3-carbonitrile;2-[4-[3-(7-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-dinaphthalen-2-ylpyrimidine with MolForge

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Related Compounds

9,9-dimethyl-5-[3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]fluorene-3-carbonitrile
CID 166796708
7'-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile;2-[4-[3-(6-isocyano-9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 163968251
2-[3-(6-isocyano-9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(3-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-dimethylfluoren-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 163634461
2-[4-(7-isocyano-9,9-dimethylfluoren-3-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[4-(7-isocyano-9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[4-(7-isocyano-9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163914156
4-(3,5-diphenylphenyl)-6-[4-(6-isocyano-9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;2-[4-(6-isocyano-9,9-dimethylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[4-(6-isocyano-9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(6-isocyano-9,9-dimethylfluoren-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(6-isocyano-9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 163985703
7-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylfluorene-3-carbonitrile
CID 162775744
4-[3-[3-(7-isocyano-9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 162776342
2-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158103642
4-[3-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]benzonitrile
CID 155765185
9,9-dimethyl-6-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 166796504
9,9-dimethyl-7-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]fluorene-4-carbonitrile
CID 162775710
2-[3-[4-(6-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 162776196

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-[3-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-3-carbonitrile;7-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluorene-3-carbonitrile;2-[4-[3-(7-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-dinaphthalen-2-ylpyrimidine?
The IUPAC name of 9,9-dimethyl-7-[3-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-3-carbonitrile;7-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluorene-3-carbonitrile;2-[4-[3-(7-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-dinaphthalen-2-ylpyrimidine (CID 163715726) is 9,9-dimethyl-7-[3-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-3-carbonitrile;7-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluorene-3-carbonitrile;2-[4-[3-(7-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-dinaphthalen-2-ylpyrimidine.
What is the SMILES notation for 9,9-dimethyl-7-[3-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-3-carbonitrile;7-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluorene-3-carbonitrile;2-[4-[3-(7-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-dinaphthalen-2-ylpyrimidine?
The canonical SMILES for 9,9-dimethyl-7-[3-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-3-carbonitrile;7-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluorene-3-carbonitrile;2-[4-[3-(7-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-dinaphthalen-2-ylpyrimidine is CC1(C)c2ccc(C#N)cc2-c2ccc(-c3cccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)c3)cc21.CC1(C)c2ccc(C#N)cc2-c2ccc(-c3cccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)cc21.[C-]#[N+]c1ccc2c(c1)C(C)(C)c1cccc(-c3cccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)cc4)c3)c1-2.
What is the InChIKey of 9,9-dimethyl-7-[3-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-3-carbonitrile;7-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluorene-3-carbonitrile;2-[4-[3-(7-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-dinaphthalen-2-ylpyrimidine?
The InChIKey is KNDWUBCBMHJOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3.C50H35N3.C44H31N3/c1-52(2)46-17-9-16-44(50(46)45-27-26-43(53-3)31-47(45)52)40-15-8-14-39(28-40)35-18-22-36(23-19-35)51-54-48(41-24-20-33-10-4-6-12-37(33)29-41)32-49(55-51)42-25-21-34-11-5-7-13-38(34)30-42;1-50(2)45-26-19-33(32-51)27-44(45)43-25-24-41(30-46(43)50)40-17-9-15-38(28-40)35-20-22-37(23-21-35)48-31-47(36-13-7-4-8-14-36)52-49(53-48)42-18-10-16-39(29-42)34-11-5-3-6-12-34;1-44(2)39-23-16-29(28-45)24-38(39)37-22-21-36(26-40(37)44)35-15-9-14-34(25-35)30-17-19-32(20-18-30)42-27-41(31-10-5-3-6-11-31)46-43(47-42)33-12-7-4-8-13-33/h4-32H,1-2H3;3-31H,1-2H3;3-27H,1-2H3.
What are the key properties of 9,9-dimethyl-7-[3-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-3-carbonitrile;7-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluorene-3-carbonitrile;2-[4-[3-(7-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-dinaphthalen-2-ylpyrimidine?
9,9-dimethyl-7-[3-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-3-carbonitrile;7-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluorene-3-carbonitrile;2-[4-[3-(7-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-dinaphthalen-2-ylpyrimidine has a molecular weight of 1981.48 g/mol, XLogP of 37.62, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-[3-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluorene-3-carbonitrile;7-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethylfluorene-3-carbonitrile;2-[4-[3-(7-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-dinaphthalen-2-ylpyrimidine is sourced from PubChem (CID 163715726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).