7-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;7-bromo-9,9-dimethylfluorene-2-carbonitrile;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C110H82BBrN14O2 — CID 161373544

IUPAC7-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;7-bromo-9,9-dimethylfluorene-2-carbonitrile;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)OB(c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.CC1(C)c2cc(Br)ccc2-c2ccc(C#N)cc21.CC1(C)c2cc(C#N)ccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21
InChIInChI=1S/C52H35N7.C42H35BN6O2.C16H12BrN/c1-52(2)44-27-33(32-53)23-25-42(44)43-26-24-38(31-45(43)52)39-28-40(50-56-46(34-15-7-3-8-16-34)54-47(57-50)35-17-9-4-10-18-35)30-41(29-39)51-58-48(36-19-11-5-12-20-36)55-49(59-51)37-21-13-6-14-22-37;1-41(2)42(3,4)51-43(50-41)34-26-32(39-46-35(28-17-9-5-10-18-28)44-36(47-39)29-19-11-6-12-20-29)25-33(27-34)40-48-37(30-21-13-7-14-22-30)45-38(49-40)31-23-15-8-16-24-31;1-16(2)14-7-10(9-18)3-5-12(14)13-6-4-11(17)8-15(13)16/h3-31H,1-2H3;5-27H,1-4H3;3-8H,1-2H3
InChIKeyVQTYCOIZVDQEGS-UHFFFAOYSA-N
MW1722.68 g/mol
LogP24.89
Rot. Bonds14

About 7-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;7-bromo-9,9-dimethylfluorene-2-carbonitrile;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

7-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;7-bromo-9,9-dimethylfluorene-2-carbonitrile;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 161373544) has the molecular formula C110H82BBrN14O2 and a molecular weight of 1722.68 g/mol. Its IUPAC name is 7-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;7-bromo-9,9-dimethylfluorene-2-carbonitrile;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name7-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;7-bromo-9,9-dimethylfluorene-2-carbonitrile;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID161373544
Molecular FormulaC110H82BBrN14O2
Molecular Weight1722.68 g/mol
Exact Mass1720.60
IUPAC Name7-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;7-bromo-9,9-dimethylfluorene-2-carbonitrile;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)OB(c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.CC1(C)c2cc(Br)ccc2-c2ccc(C#N)cc21.CC1(C)c2cc(C#N)ccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21
InChIInChI=1S/C52H35N7.C42H35BN6O2.C16H12BrN/c1-52(2)44-27-33(32-53)23-25-42(44)43-26-24-38(31-45(43)52)39-28-40(50-56-46(34-15-7-3-8-16-34)54-47(57-50)35-17-9-4-10-18-35)30-41(29-39)51-58-48(36-19-11-5-12-20-36)55-49(59-51)37-21-13-6-14-22-37;1-41(2)42(3,4)51-43(50-41)34-26-32(39-46-35(28-17-9-5-10-18-28)44-36(47-39)29-19-11-6-12-20-29)25-33(27-34)40-48-37(30-21-13-7-14-22-30)45-38(49-40)31-23-15-8-16-24-31;1-16(2)14-7-10(9-18)3-5-12(14)13-6-4-11(17)8-15(13)16/h3-31H,1-2H3;5-27H,1-4H3;3-8H,1-2H3
InChIKeyVQTYCOIZVDQEGS-UHFFFAOYSA-N
XLogP24.89
TPSA220.72 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001722.68
LogP ≤ 524.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 7-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;7-bromo-9,9-dimethylfluorene-2-carbonitrile;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine
CID 159359482
4-[6-[4-phenyl-6-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]benzonitrile
CID 168808429
9,9-dimethyl-7-[3-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-5-pyridin-3-ylphenyl]fluorene-2-carbonitrile
CID 171421672
9,9-dimethyl-7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-pyridin-3-ylphenyl]fluorene-2-carbonitrile
CID 171421888
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-3-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171421843
9,9-dimethyl-7-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]fluorene-2-carbonitrile
CID 162775748
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isoquinolin-7-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171421388
9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylquinazolin-2-yl)phenyl]fluorene-2-carbonitrile
CID 171421810
7-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-2-carbonitrile;methane
CID 160828918
6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 162776047
9,9-dimethyl-6-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 162775792
7-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171421532

Frequently Asked Questions

What is the IUPAC name of 7-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;7-bromo-9,9-dimethylfluorene-2-carbonitrile;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 7-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;7-bromo-9,9-dimethylfluorene-2-carbonitrile;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 161373544) is 7-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;7-bromo-9,9-dimethylfluorene-2-carbonitrile;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 7-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;7-bromo-9,9-dimethylfluorene-2-carbonitrile;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 7-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;7-bromo-9,9-dimethylfluorene-2-carbonitrile;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)OB(c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.CC1(C)c2cc(Br)ccc2-c2ccc(C#N)cc21.CC1(C)c2cc(C#N)ccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc21.
What is the InChIKey of 7-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;7-bromo-9,9-dimethylfluorene-2-carbonitrile;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is VQTYCOIZVDQEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N7.C42H35BN6O2.C16H12BrN/c1-52(2)44-27-33(32-53)23-25-42(44)43-26-24-38(31-45(43)52)39-28-40(50-56-46(34-15-7-3-8-16-34)54-47(57-50)35-17-9-4-10-18-35)30-41(29-39)51-58-48(36-19-11-5-12-20-36)55-49(59-51)37-21-13-6-14-22-37;1-41(2)42(3,4)51-43(50-41)34-26-32(39-46-35(28-17-9-5-10-18-28)44-36(47-39)29-19-11-6-12-20-29)25-33(27-34)40-48-37(30-21-13-7-14-22-30)45-38(49-40)31-23-15-8-16-24-31;1-16(2)14-7-10(9-18)3-5-12(14)13-6-4-11(17)8-15(13)16/h3-31H,1-2H3;5-27H,1-4H3;3-8H,1-2H3.
What are the key properties of 7-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;7-bromo-9,9-dimethylfluorene-2-carbonitrile;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
7-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;7-bromo-9,9-dimethylfluorene-2-carbonitrile;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1722.68 g/mol, XLogP of 24.89, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-2-carbonitrile;7-bromo-9,9-dimethylfluorene-2-carbonitrile;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 161373544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).