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

C132H93N9 — CID 163634461

IUPAC2-[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
SMILES[C-]#[N+]c1ccc2c(c1)-c1c(-c3cccc(-c4nc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6ccccc6)c5)n4)c3)cccc1C2(C)C.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccccc5)n4)c3)cc1C2(C)C.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc1C2(C)C
InChIInChI=1S/C50H35N3.C44H31N3.C38H27N3/c1-50(2)44-27-26-41(51-3)31-43(44)48-42(24-13-25-45(48)50)37-20-12-23-40(30-37)49-52-46(38-21-10-18-35(28-38)33-14-6-4-7-15-33)32-47(53-49)39-22-11-19-36(29-39)34-16-8-5-9-17-34;1-44(2)37-18-11-19-39(45-3)42(37)36-25-24-34(27-38(36)44)33-16-10-17-35(26-33)41-28-40(46-43(47-41)32-14-8-5-9-15-32)31-22-20-30(21-23-31)29-12-6-4-7-13-29;1-38(2)31-18-11-19-33(39-3)36(31)30-21-20-28(23-32(30)38)27-16-10-17-29(22-27)35-24-34(25-12-6-4-7-13-25)40-37(41-35)26-14-8-5-9-15-26/h4-32H,1-2H3;4-28H,1-2H3;4-24H,1-2H3
InChIKeyHYXRDPZNRLYHEV-UHFFFAOYSA-N
MW1805.26 g/mol
LogP35.01
Rot. Bonds15

About 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

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 (PubChem CID 163634461) has the molecular formula C132H93N9 and a molecular weight of 1805.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID163634461
Molecular FormulaC132H93N9
Molecular Weight1805.26 g/mol
Exact Mass1803.76
IUPAC Name2-[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
SMILES[C-]#[N+]c1ccc2c(c1)-c1c(-c3cccc(-c4nc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6ccccc6)c5)n4)c3)cccc1C2(C)C.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccccc5)n4)c3)cc1C2(C)C.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc1C2(C)C
InChIInChI=1S/C50H35N3.C44H31N3.C38H27N3/c1-50(2)44-27-26-41(51-3)31-43(44)48-42(24-13-25-45(48)50)37-20-12-23-40(30-37)49-52-46(38-21-10-18-35(28-38)33-14-6-4-7-15-33)32-47(53-49)39-22-11-19-36(29-39)34-16-8-5-9-17-34;1-44(2)37-18-11-19-39(45-3)42(37)36-25-24-34(27-38(36)44)33-16-10-17-35(26-33)41-28-40(46-43(47-41)32-14-8-5-9-15-32)31-22-20-30(21-23-31)29-12-6-4-7-13-29;1-38(2)31-18-11-19-33(39-3)36(31)30-21-20-28(23-32(30)38)27-16-10-17-29(22-27)35-24-34(25-12-6-4-7-13-25)40-37(41-35)26-14-8-5-9-15-26/h4-32H,1-2H3;4-28H,1-2H3;4-24H,1-2H3
InChIKeyHYXRDPZNRLYHEV-UHFFFAOYSA-N
XLogP35.01
TPSA90.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001805.26
LogP ≤ 535.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-[3-[4-(5-isocyano-9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 162776115
2-[3-[4-(6-isocyano-9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 162776196
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
2-[3-(5-isocyano-9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162775840
2-[4-[3-(5-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 162775812
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
2-[3-(5-isocyano-9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162776358
4-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 121450715
2-[4-(6-isocyano-9,9-diphenylfluoren-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163549178
4-[3-[3-(7-isocyano-9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 162776342
2-[4-(6-isocyano-9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(6-isocyano-9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[4-(6-isocyano-9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163884850
4-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272139

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1ccc2c(c1)-c1c(-c3cccc(-c4nc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6ccccc6)c5)n4)c3)cccc1C2(C)C.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccccc5)n4)c3)cc1C2(C)C.[C-]#[N+]c1cccc2c1-c1ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc1C2(C)C.
What is the InChIKey of 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?
The InChIKey is HYXRDPZNRLYHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N3.C44H31N3.C38H27N3/c1-50(2)44-27-26-41(51-3)31-43(44)48-42(24-13-25-45(48)50)37-20-12-23-40(30-37)49-52-46(38-21-10-18-35(28-38)33-14-6-4-7-15-33)32-47(53-49)39-22-11-19-36(29-39)34-16-8-5-9-17-34;1-44(2)37-18-11-19-39(45-3)42(37)36-25-24-34(27-38(36)44)33-16-10-17-35(26-33)41-28-40(46-43(47-41)32-14-8-5-9-15-32)31-22-20-30(21-23-31)29-12-6-4-7-13-29;1-38(2)31-18-11-19-33(39-3)36(31)30-21-20-28(23-32(30)38)27-16-10-17-29(22-27)35-24-34(25-12-6-4-7-13-25)40-37(41-35)26-14-8-5-9-15-26/h4-32H,1-2H3;4-28H,1-2H3;4-24H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1805.26 g/mol, XLogP of 35.01, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163634461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).