2-(6-chloro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)pyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane

C97H69BClN7O4 — CID 161446990

IUPAC2-(6-chloro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)pyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)OC1(C)C.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cn1.c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)nc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H29N3O.C31H27BO3.C20H13ClN4/c1-3-13-30(14-4-1)41-28-42(49-45(48-41)31-15-5-2-6-16-31)33-23-25-40(47-29-33)32-24-26-44-39(27-32)46(38-21-11-12-22-43(38)50-44)36-19-9-7-17-34(36)35-18-8-10-20-37(35)46;1-29(2)30(3,4)35-32(34-29)20-17-18-28-26(19-20)31(25-15-9-10-16-27(25)33-28)23-13-7-5-11-21(23)22-12-6-8-14-24(22)31;21-17-12-11-16(13-22-17)20-24-18(14-7-3-1-4-8-14)23-19(25-20)15-9-5-2-6-10-15/h1-29H;5-19H,1-4H3;1-13H
InChIKeyWAAJQVPBMAMZSR-UHFFFAOYSA-N
MW1442.93 g/mol
LogP22.38
Rot. Bonds8

About 2-(6-chloro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)pyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane

2-(6-chloro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)pyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane (PubChem CID 161446990) has the molecular formula C97H69BClN7O4 and a molecular weight of 1442.93 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)pyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)pyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane
PubChem CID161446990
Molecular FormulaC97H69BClN7O4
Molecular Weight1442.93 g/mol
Exact Mass1441.52
IUPAC Name2-(6-chloro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)pyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)OC1(C)C.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cn1.c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)nc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H29N3O.C31H27BO3.C20H13ClN4/c1-3-13-30(14-4-1)41-28-42(49-45(48-41)31-15-5-2-6-16-31)33-23-25-40(47-29-33)32-24-26-44-39(27-32)46(38-21-11-12-22-43(38)50-44)36-19-9-7-17-34(36)35-18-8-10-20-37(35)46;1-29(2)30(3,4)35-32(34-29)20-17-18-28-26(19-20)31(25-15-9-10-16-27(25)33-28)23-13-7-5-11-21(23)22-12-6-8-14-24(22)31;21-17-12-11-16(13-22-17)20-24-18(14-7-3-1-4-8-14)23-19(25-20)15-9-5-2-6-10-15/h1-29H;5-19H,1-4H3;1-13H
InChIKeyWAAJQVPBMAMZSR-UHFFFAOYSA-N
XLogP22.38
TPSA127.15 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001442.93
LogP ≤ 522.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(6-chloro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)pyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane with MolForge

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Related Compounds

4-(4-phenylphenyl)-6-(6-phenyl-3-pyridinyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 140796908
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
2-(4-bromophenyl)-4,6-diphenylpyrimidine;8-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline;8-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
CID 164961042
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 155443385
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
2-(3,5-diphenylphenyl)-4-phenyl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine
CID 140838593
2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047
2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine
CID 146632584
2-phenyl-4-[3-[6-[4-[4-(3-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 139307625
2,4-bis(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 159156197

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)pyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)pyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane (CID 161446990) is 2-(6-chloro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)pyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)pyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)pyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)OC1(C)C.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cn1.c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)nc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)pyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane?
The InChIKey is WAAJQVPBMAMZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O.C31H27BO3.C20H13ClN4/c1-3-13-30(14-4-1)41-28-42(49-45(48-41)31-15-5-2-6-16-31)33-23-25-40(47-29-33)32-24-26-44-39(27-32)46(38-21-11-12-22-43(38)50-44)36-19-9-7-17-34(36)35-18-8-10-20-37(35)46;1-29(2)30(3,4)35-32(34-29)20-17-18-28-26(19-20)31(25-15-9-10-16-27(25)33-28)23-13-7-5-11-21(23)22-12-6-8-14-24(22)31;21-17-12-11-16(13-22-17)20-24-18(14-7-3-1-4-8-14)23-19(25-20)15-9-5-2-6-10-15/h1-29H;5-19H,1-4H3;1-13H.
What are the key properties of 2-(6-chloro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)pyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane?
2-(6-chloro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)pyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane has a molecular weight of 1442.93 g/mol, XLogP of 22.38, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-3-pyridinyl)pyrimidine;4,4,5,5-tetramethyl-2-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 161446990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).