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

C123H86N12 — CID 163884850

IUPAC2-[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
SMILES[C-]#[N+]c1ccc2c(c1)-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc1C2(C)C.[C-]#[N+]c1ccc2c(c1)-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc1C2(C)C.[C-]#[N+]c1ccc2c(c1)-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1C2(C)C
InChIInChI=1S/2C43H30N4.C37H26N4/c1-43(2)38-24-22-35(44-3)27-37(38)36-23-21-33(26-39(36)43)29-17-19-31(20-18-29)41-45-40(30-13-8-5-9-14-30)46-42(47-41)34-16-10-15-32(25-34)28-11-6-4-7-12-28;1-43(2)38-25-23-35(44-3)27-37(38)36-24-22-34(26-39(36)43)30-16-20-33(21-17-30)42-46-40(31-12-8-5-9-13-31)45-41(47-42)32-18-14-29(15-19-32)28-10-6-4-7-11-28;1-37(2)32-21-19-29(38-3)23-31(32)30-20-18-28(22-33(30)37)24-14-16-27(17-15-24)36-40-34(25-10-6-4-7-11-25)39-35(41-36)26-12-8-5-9-13-26/h2*4-27H,1-2H3;4-23H,1-2H3
InChIKeyPWLKYTAVXFPZNW-UHFFFAOYSA-N
MW1732.12 g/mol
LogP31.52
Rot. Bonds14

About 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

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 (PubChem CID 163884850) has the molecular formula C123H86N12 and a molecular weight of 1732.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID163884850
Molecular FormulaC123H86N12
Molecular Weight1732.12 g/mol
Exact Mass1730.71
IUPAC Name2-[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
SMILES[C-]#[N+]c1ccc2c(c1)-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc1C2(C)C.[C-]#[N+]c1ccc2c(c1)-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc1C2(C)C.[C-]#[N+]c1ccc2c(c1)-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1C2(C)C
InChIInChI=1S/2C43H30N4.C37H26N4/c1-43(2)38-24-22-35(44-3)27-37(38)36-23-21-33(26-39(36)43)29-17-19-31(20-18-29)41-45-40(30-13-8-5-9-14-30)46-42(47-41)34-16-10-15-32(25-34)28-11-6-4-7-12-28;1-43(2)38-25-23-35(44-3)27-37(38)36-24-22-34(26-39(36)43)30-16-20-33(21-17-30)42-46-40(31-12-8-5-9-13-31)45-41(47-42)32-18-14-29(15-19-32)28-10-6-4-7-11-28;1-37(2)32-21-19-29(38-3)23-31(32)30-20-18-28(22-33(30)37)24-14-16-27(17-15-24)36-40-34(25-10-6-4-7-11-25)39-35(41-36)26-12-8-5-9-13-26/h2*4-27H,1-2H3;4-23H,1-2H3
InChIKeyPWLKYTAVXFPZNW-UHFFFAOYSA-N
XLogP31.52
TPSA129.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001732.12
LogP ≤ 531.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
4-[3-[3-(7-isocyano-9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 162776342
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
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
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-[4-(6-isocyano-9,9'-spirobi[fluorene]-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162776400
2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158946887
4-[3-[3-(6-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 162776211
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154613773
2-(3,5-diphenylphenyl)-4-[4-(6-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 162775952
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1ccc2c(c1)-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc1C2(C)C.[C-]#[N+]c1ccc2c(c1)-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc1C2(C)C.[C-]#[N+]c1ccc2c(c1)-c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1C2(C)C.
What is the InChIKey of 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?
The InChIKey is PWLKYTAVXFPZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H30N4.C37H26N4/c1-43(2)38-24-22-35(44-3)27-37(38)36-23-21-33(26-39(36)43)29-17-19-31(20-18-29)41-45-40(30-13-8-5-9-14-30)46-42(47-41)34-16-10-15-32(25-34)28-11-6-4-7-12-28;1-43(2)38-25-23-35(44-3)27-37(38)36-24-22-34(26-39(36)43)30-16-20-33(21-17-30)42-46-40(31-12-8-5-9-13-31)45-41(47-42)32-18-14-29(15-19-32)28-10-6-4-7-11-28;1-37(2)32-21-19-29(38-3)23-31(32)30-20-18-28(22-33(30)37)24-14-16-27(17-15-24)36-40-34(25-10-6-4-7-11-25)39-35(41-36)26-12-8-5-9-13-26/h2*4-27H,1-2H3;4-23H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1732.12 g/mol, XLogP of 31.52, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163884850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).