7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-9-yl]-5,7-dihydroindeno[2,1-b]carbazole

C47H30N4 — CID 71246095

IUPAC7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-9-yl]-5,7-dihydroindeno[2,1-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(C3c5ccccc5-c5cc6c(cc53)[nH]c3ccccc36)c3ccccc3-4)n2)cc1
InChIInChI=1S/C47H30N4/c1-3-13-28(14-4-1)45-49-46(29-15-5-2-6-16-29)51-47(50-45)30-23-24-33-31-17-7-9-20-35(31)43(39(33)25-30)44-36-21-10-8-18-32(36)37-26-38-34-19-11-12-22-41(34)48-42(38)27-40(37)44/h1-27,43-44,48H
InChIKeyWSCHGENBDXRNJK-UHFFFAOYSA-N
MW650.79 g/mol
LogP11.43
Rot. Bonds4

About 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-9-yl]-5,7-dihydroindeno[2,1-b]carbazole

7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-9-yl]-5,7-dihydroindeno[2,1-b]carbazole (PubChem CID 71246095) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-9-yl]-5,7-dihydroindeno[2,1-b]carbazole.

Molecular Properties

Compound Name7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-9-yl]-5,7-dihydroindeno[2,1-b]carbazole
PubChem CID71246095
Molecular FormulaC47H30N4
Molecular Weight650.79 g/mol
Exact Mass650.25
IUPAC Name7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-9-yl]-5,7-dihydroindeno[2,1-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(C3c5ccccc5-c5cc6c(cc53)[nH]c3ccccc36)c3ccccc3-4)n2)cc1
InChIInChI=1S/C47H30N4/c1-3-13-28(14-4-1)45-49-46(29-15-5-2-6-16-29)51-47(50-45)30-23-24-33-31-17-7-9-20-35(31)43(39(33)25-30)44-36-21-10-8-18-32(36)37-26-38-34-19-11-12-22-41(34)48-42(38)27-40(37)44/h1-27,43-44,48H
InChIKeyWSCHGENBDXRNJK-UHFFFAOYSA-N
XLogP11.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.79
LogP ≤ 511.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-5,7-dihydroindeno[2,1-b]carbazole
CID 144782012
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 121306334
17-[3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10,14,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15(20),16,18-decaene
CID 163977300
1-[4-phenyl-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]-9H-carbazole
CID 167363642
10-[3-(9H-carbazol-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine
CID 163464218
11,20-diazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(28),2,4(12),5,7,9,13,15,17,19(27),21,23,25-tridecaene
CID 102495063
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
CID 121306346
1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 155673306
2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole
CID 145108706
1,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-carbazole
CID 118448496
9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 122627210
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-(4-phenylphenyl)-9H-carbazole
CID 126492498

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-9-yl]-5,7-dihydroindeno[2,1-b]carbazole?
The IUPAC name of 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-9-yl]-5,7-dihydroindeno[2,1-b]carbazole (CID 71246095) is 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-9-yl]-5,7-dihydroindeno[2,1-b]carbazole.
What is the SMILES notation for 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-9-yl]-5,7-dihydroindeno[2,1-b]carbazole?
The canonical SMILES for 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-9-yl]-5,7-dihydroindeno[2,1-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(C3c5ccccc5-c5cc6c(cc53)[nH]c3ccccc36)c3ccccc3-4)n2)cc1.
What is the InChIKey of 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-9-yl]-5,7-dihydroindeno[2,1-b]carbazole?
The InChIKey is WSCHGENBDXRNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c1-3-13-28(14-4-1)45-49-46(29-15-5-2-6-16-29)51-47(50-45)30-23-24-33-31-17-7-9-20-35(31)43(39(33)25-30)44-36-21-10-8-18-32(36)37-26-38-34-19-11-12-22-41(34)48-42(38)27-40(37)44/h1-27,43-44,48H.
What are the key properties of 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-9-yl]-5,7-dihydroindeno[2,1-b]carbazole?
7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-9-yl]-5,7-dihydroindeno[2,1-b]carbazole has a molecular weight of 650.79 g/mol, XLogP of 11.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-9-yl]-5,7-dihydroindeno[2,1-b]carbazole is sourced from PubChem (CID 71246095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).