2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole

C131H97N11 — CID 157484543

IUPAC2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)cccc21.Cc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4(C)C)nc(-c3cccc4c3-c3ccccc3C4(C)C)n2)cc1.[C-]#[N+]c1ccc(-c2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc(-c3cccc4c3-c3ccccc3C4(C)C)n2)cc1
InChIInChI=1S/C48H34N4.C43H30N4.C40H33N3/c1-48(2)40-21-11-9-19-37(40)44-38(20-13-22-41(44)48)47-50-45(33-26-24-32(25-27-33)31-14-5-3-6-15-31)49-46(51-47)34-28-29-43-39(30-34)36-18-10-12-23-42(36)52(43)35-16-7-4-8-17-35;1-43(2)37-19-11-10-17-35(37)39-36(18-12-20-38(39)43)42-46-40(30-21-23-34(44-3)24-22-30)45-41(47-42)33-26-31(28-13-6-4-7-14-28)25-32(27-33)29-15-8-5-9-16-29;1-24-20-22-25(23-21-24)36-41-37(28-14-10-18-32-34(28)26-12-6-8-16-30(26)39(32,2)3)43-38(42-36)29-15-11-19-33-35(29)27-13-7-9-17-31(27)40(33,4)5/h3-30H,1-2H3;4-27H,1-2H3;6-23H,1-5H3
InChIKeyBWNZHTZBTDFEAY-UHFFFAOYSA-N
MW1825.29 g/mol
LogP32.80
Rot. Bonds13

About 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole

2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 157484543) has the molecular formula C131H97N11 and a molecular weight of 1825.29 g/mol. Its IUPAC name is 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
PubChem CID157484543
Molecular FormulaC131H97N11
Molecular Weight1825.29 g/mol
Exact Mass1823.79
IUPAC Name2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)cccc21.Cc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4(C)C)nc(-c3cccc4c3-c3ccccc3C4(C)C)n2)cc1.[C-]#[N+]c1ccc(-c2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc(-c3cccc4c3-c3ccccc3C4(C)C)n2)cc1
InChIInChI=1S/C48H34N4.C43H30N4.C40H33N3/c1-48(2)40-21-11-9-19-37(40)44-38(20-13-22-41(44)48)47-50-45(33-26-24-32(25-27-33)31-14-5-3-6-15-31)49-46(51-47)34-28-29-43-39(30-34)36-18-10-12-23-42(36)52(43)35-16-7-4-8-17-35;1-43(2)37-19-11-10-17-35(37)39-36(18-12-20-38(39)43)42-46-40(30-21-23-34(44-3)24-22-30)45-41(47-42)33-26-31(28-13-6-4-7-14-28)25-32(27-33)29-15-8-5-9-16-29;1-24-20-22-25(23-21-24)36-41-37(28-14-10-18-32-34(28)26-12-6-8-16-30(26)39(32,2)3)43-38(42-36)29-15-11-19-33-35(29)27-13-7-9-17-31(27)40(33,4)5/h3-30H,1-2H3;4-27H,1-2H3;6-23H,1-5H3
InChIKeyBWNZHTZBTDFEAY-UHFFFAOYSA-N
XLogP32.80
TPSA125.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001825.29
LogP ≤ 532.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole with MolForge

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Related Compounds

9-[5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-3-phenylcarbazole
CID 177287146
9-[3-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163655067
3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170681002
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole
CID 118507677
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole
CID 137401866
5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
CID 135298303
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
3-[9-[4-[4-(4-isocyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 123503758
9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 90059498
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
14,14-dimethyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-5-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 157165823

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The IUPAC name of 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 157484543) is 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)cccc21.Cc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4(C)C)nc(-c3cccc4c3-c3ccccc3C4(C)C)n2)cc1.[C-]#[N+]c1ccc(-c2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc(-c3cccc4c3-c3ccccc3C4(C)C)n2)cc1.
What is the InChIKey of 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The InChIKey is BWNZHTZBTDFEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4.C43H30N4.C40H33N3/c1-48(2)40-21-11-9-19-37(40)44-38(20-13-22-41(44)48)47-50-45(33-26-24-32(25-27-33)31-14-5-3-6-15-31)49-46(51-47)34-28-29-43-39(30-34)36-18-10-12-23-42(36)52(43)35-16-7-4-8-17-35;1-43(2)37-19-11-10-17-35(37)39-36(18-12-20-38(39)43)42-46-40(30-21-23-34(44-3)24-22-30)45-41(47-42)33-26-31(28-13-6-4-7-14-28)25-32(27-33)29-15-8-5-9-16-29;1-24-20-22-25(23-21-24)36-41-37(28-14-10-18-32-34(28)26-12-6-8-16-30(26)39(32,2)3)43-38(42-36)29-15-11-19-33-35(29)27-13-7-9-17-31(27)40(33,4)5/h3-30H,1-2H3;4-27H,1-2H3;6-23H,1-5H3.
What are the key properties of 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 1825.29 g/mol, XLogP of 32.80, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-(3,5-diphenylphenyl)-6-(4-isocyanophenyl)-1,3,5-triazine;3-[4-(9,9-dimethylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 157484543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).