2-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine

C137H94N12 — CID 157109216

IUPAC2-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
SMILESCC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)nc5)n4)c3)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccn6)cc5)n4)c3)ccc21.c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C51H32N4.C45H32N4.C41H30N4/c1-2-11-35(12-3-1)48-53-49(36-23-21-33(22-24-36)34-27-29-52-30-28-34)55-50(54-48)39-14-10-13-37(31-39)38-25-26-47-43(32-38)42-17-6-9-20-46(42)51(47)44-18-7-4-15-40(44)41-16-5-8-19-45(41)51;1-45(2)39-27-33(21-23-37(39)38-24-20-29-12-9-10-19-36(29)41(38)45)32-17-11-18-34(26-32)43-47-42(31-15-7-4-8-16-31)48-44(49-43)35-22-25-40(46-28-35)30-13-5-3-6-14-30;1-41(2)35-16-7-6-15-33(35)34-26-31(22-23-36(34)41)30-13-10-14-32(25-30)40-44-38(28-11-4-3-5-12-28)43-39(45-40)29-20-18-27(19-21-29)37-17-8-9-24-42-37/h1-32H;3-28H,1-2H3;3-26H,1-2H3
InChIKeyAGQNCNORONQEHO-UHFFFAOYSA-N
MW1908.34 g/mol
LogP32.91
Rot. Bonds15

About 2-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine

2-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine (PubChem CID 157109216) has the molecular formula C137H94N12 and a molecular weight of 1908.34 g/mol. Its IUPAC name is 2-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
PubChem CID157109216
Molecular FormulaC137H94N12
Molecular Weight1908.34 g/mol
Exact Mass1906.77
IUPAC Name2-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
SMILESCC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)nc5)n4)c3)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccn6)cc5)n4)c3)ccc21.c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C51H32N4.C45H32N4.C41H30N4/c1-2-11-35(12-3-1)48-53-49(36-23-21-33(22-24-36)34-27-29-52-30-28-34)55-50(54-48)39-14-10-13-37(31-39)38-25-26-47-43(32-38)42-17-6-9-20-46(42)51(47)44-18-7-4-15-40(44)41-16-5-8-19-45(41)51;1-45(2)39-27-33(21-23-37(39)38-24-20-29-12-9-10-19-36(29)41(38)45)32-17-11-18-34(26-32)43-47-42(31-15-7-4-8-16-31)48-44(49-43)35-22-25-40(46-28-35)30-13-5-3-6-14-30;1-41(2)35-16-7-6-15-33(35)34-26-31(22-23-36(34)41)30-13-10-14-32(25-30)40-44-38(28-11-4-3-5-12-28)43-39(45-40)29-20-18-27(19-21-29)37-17-8-9-24-42-37/h1-32H;3-28H,1-2H3;3-26H,1-2H3
InChIKeyAGQNCNORONQEHO-UHFFFAOYSA-N
XLogP32.91
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001908.34
LogP ≤ 532.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine (CID 157109216) is 2-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine is CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)nc5)n4)c3)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccn6)cc5)n4)c3)ccc21.c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)n2)cc1.
What is the InChIKey of 2-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine?
The InChIKey is AGQNCNORONQEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4.C45H32N4.C41H30N4/c1-2-11-35(12-3-1)48-53-49(36-23-21-33(22-24-36)34-27-29-52-30-28-34)55-50(54-48)39-14-10-13-37(31-39)38-25-26-47-43(32-38)42-17-6-9-20-46(42)51(47)44-18-7-4-15-40(44)41-16-5-8-19-45(41)51;1-45(2)39-27-33(21-23-37(39)38-24-20-29-12-9-10-19-36(29)41(38)45)32-17-11-18-34(26-32)43-47-42(31-15-7-4-8-16-31)48-44(49-43)35-22-25-40(46-28-35)30-13-5-3-6-14-30;1-41(2)35-16-7-6-15-33(35)34-26-31(22-23-36(34)41)30-13-10-14-32(25-30)40-44-38(28-11-4-3-5-12-28)43-39(45-40)29-20-18-27(19-21-29)37-17-8-9-24-42-37/h1-32H;3-28H,1-2H3;3-26H,1-2H3.
What are the key properties of 2-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine?
2-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine has a molecular weight of 1908.34 g/mol, XLogP of 32.91, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 157109216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).