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

C131H90N12 — CID 163914156

IUPAC2-[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
SMILES[C-]#[N+]c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)cc1-2.[C-]#[N+]c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc1-2.[C-]#[N+]c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc1-2
InChIInChI=1S/C45H30N4.2C43H30N4/c1-45(2)40-23-20-34(26-39(40)38-22-21-37(46-3)27-41(38)45)30-12-16-31(17-13-30)42-47-43(35-18-14-28-8-4-6-10-32(28)24-35)49-44(48-42)36-19-15-29-9-5-7-11-33(29)25-36;1-43(2)38-24-21-33(26-37(38)36-23-22-35(44-3)27-39(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)38-25-22-34(26-37(38)36-24-23-35(44-3)27-39(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/h4-27H,1-2H3;2*4-27H,1-2H3
InChIKeyQUTNCRVCVZTOCB-UHFFFAOYSA-N
MW1832.24 g/mol
LogP33.83
Rot. Bonds14

About 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

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 (PubChem CID 163914156) has the molecular formula C131H90N12 and a molecular weight of 1832.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID163914156
Molecular FormulaC131H90N12
Molecular Weight1832.24 g/mol
Exact Mass1830.74
IUPAC Name2-[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
SMILES[C-]#[N+]c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)cc1-2.[C-]#[N+]c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc1-2.[C-]#[N+]c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc1-2
InChIInChI=1S/C45H30N4.2C43H30N4/c1-45(2)40-23-20-34(26-39(40)38-22-21-37(46-3)27-41(38)45)30-12-16-31(17-13-30)42-47-43(35-18-14-28-8-4-6-10-32(28)24-35)49-44(48-42)36-19-15-29-9-5-7-11-33(29)25-36;1-43(2)38-24-21-33(26-37(38)36-23-22-35(44-3)27-39(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)38-25-22-34(26-37(38)36-24-23-35(44-3)27-39(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/h4-27H,1-2H3;2*4-27H,1-2H3
InChIKeyQUTNCRVCVZTOCB-UHFFFAOYSA-N
XLogP33.83
TPSA129.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001832.24
LogP ≤ 533.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-(7-isocyano-9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 162776342
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
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
2,4-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
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-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154613745
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 171592076
3-[4-[4-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]phenyl]-6-isocyano-9-naphthalen-2-ylcarbazole
CID 123166974
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[5-isocyano-7-(4-phenylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-[4-(3-isocyanophenyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 167644430
2-[3-(9-isocyano-6,6-diphenylbenzo[c]chromen-3-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 168802899
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163493770

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)cc1-2.[C-]#[N+]c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc1-2.[C-]#[N+]c1ccc2c(c1)C(C)(C)c1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc1-2.
What is the InChIKey of 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?
The InChIKey is QUTNCRVCVZTOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4.2C43H30N4/c1-45(2)40-23-20-34(26-39(40)38-22-21-37(46-3)27-41(38)45)30-12-16-31(17-13-30)42-47-43(35-18-14-28-8-4-6-10-32(28)24-35)49-44(48-42)36-19-15-29-9-5-7-11-33(29)25-36;1-43(2)38-24-21-33(26-37(38)36-23-22-35(44-3)27-39(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)38-25-22-34(26-37(38)36-24-23-35(44-3)27-39(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/h4-27H,1-2H3;2*4-27H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1832.24 g/mol, XLogP of 33.83, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163914156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).