3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole

C66H46N4 — CID 162483839

IUPAC3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole
SMILES[3H]c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)C(c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc([3H])cc6)cc4-5)c3)n2)cc1
InChIInChI=1S/C66H46N4/c1-43-25-32-52(33-26-43)66(53-34-27-44(2)28-35-53)59-37-30-48(49-31-38-62-58(41-49)56-23-12-13-24-61(56)70(62)54-21-10-5-11-22-54)40-57(59)55-36-29-50(42-60(55)66)47-19-14-20-51(39-47)65-68-63(45-15-6-3-7-16-45)67-64(69-65)46-17-8-4-9-18-46/h3-42H,1-2H3/i3T,5T
InChIKeyLOYONCVMNVTHTI-MVVHMNKJSA-N
MW899.14 g/mol
LogP16.28
Rot. Bonds8

About 3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole

3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole (PubChem CID 162483839) has the molecular formula C66H46N4 and a molecular weight of 899.14 g/mol. Its IUPAC name is 3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole.

Molecular Properties

Compound Name3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole
PubChem CID162483839
Molecular FormulaC66H46N4
Molecular Weight899.14 g/mol
Exact Mass898.39
IUPAC Name3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole
SMILES[3H]c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)C(c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc([3H])cc6)cc4-5)c3)n2)cc1
InChIInChI=1S/C66H46N4/c1-43-25-32-52(33-26-43)66(53-34-27-44(2)28-35-53)59-37-30-48(49-31-38-62-58(41-49)56-23-12-13-24-61(56)70(62)54-21-10-5-11-22-54)40-57(59)55-36-29-50(42-60(55)66)47-19-14-20-51(39-47)65-68-63(45-15-6-3-7-16-45)67-64(69-65)46-17-8-4-9-18-46/h3-42H,1-2H3/i3T,5T
InChIKeyLOYONCVMNVTHTI-MVVHMNKJSA-N
XLogP16.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.14
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole with MolForge

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Related Compounds

3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole
CID 118507677
5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265297
9-phenyl-3-(4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazin-2-yl)carbazole;9-phenyl-3-(4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazin-2-yl)carbazole;9-phenyl-3-(4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,3,5-triazin-2-yl)carbazole
CID 161476615
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
11,11-bis(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[1,2-b]carbazole
CID 87413796
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700
9-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
9-[2'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-9,9'-spirobi[fluorene]-2-yl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-[7'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-9,9'-spirobi[fluorene]-2'-yl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159219781
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
3-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 139342070

Frequently Asked Questions

What is the IUPAC name of 3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole?
The IUPAC name of 3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole (CID 162483839) is 3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole.
What is the SMILES notation for 3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole?
The canonical SMILES for 3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole is [3H]c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)C(c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc([3H])cc6)cc4-5)c3)n2)cc1.
What is the InChIKey of 3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole?
The InChIKey is LOYONCVMNVTHTI-MVVHMNKJSA-N. The full InChI is InChI=1S/C66H46N4/c1-43-25-32-52(33-26-43)66(53-34-27-44(2)28-35-53)59-37-30-48(49-31-38-62-58(41-49)56-23-12-13-24-61(56)70(62)54-21-10-5-11-22-54)40-57(59)55-36-29-50(42-60(55)66)47-19-14-20-51(39-47)65-68-63(45-15-6-3-7-16-45)67-64(69-65)46-17-8-4-9-18-46/h3-42H,1-2H3/i3T,5T.
What are the key properties of 3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole?
3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole has a molecular weight of 899.14 g/mol, XLogP of 16.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9,9-bis(4-methylphenyl)-7-[3-[4-phenyl-6-(4-tritiophenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-3-yl]-9-(4-tritiophenyl)carbazole is sourced from PubChem (CID 162483839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).