9-[2-[4,6-bis(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole

C55H46N4 — CID 170365770

IUPAC9-[2-[4,6-bis(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1nc(C2c3ccccc3-c3ccccc32)nc(C2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C55H46N4/c1-54(2,3)33-27-29-47-44(31-33)45-32-34(55(4,5)6)28-30-48(45)59(47)46-26-16-15-25-43(46)51-56-52(49-39-21-11-7-17-35(39)36-18-8-12-22-40(36)49)58-53(57-51)50-41-23-13-9-19-37(41)38-20-10-14-24-42(38)50/h7-32,49-50H,1-6H3
InChIKeySWBXAFLVMZWRDA-UHFFFAOYSA-N
MW763.00 g/mol
LogP13.55
Rot. Bonds4

About 9-[2-[4,6-bis(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole

9-[2-[4,6-bis(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole (PubChem CID 170365770) has the molecular formula C55H46N4 and a molecular weight of 763.00 g/mol. Its IUPAC name is 9-[2-[4,6-bis(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole.

Molecular Properties

Compound Name9-[2-[4,6-bis(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole
PubChem CID170365770
Molecular FormulaC55H46N4
Molecular Weight763.00 g/mol
Exact Mass762.37
IUPAC Name9-[2-[4,6-bis(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1nc(C2c3ccccc3-c3ccccc32)nc(C2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C55H46N4/c1-54(2,3)33-27-29-47-44(31-33)45-32-34(55(4,5)6)28-30-48(45)59(47)46-26-16-15-25-43(46)51-56-52(49-39-21-11-7-17-35(39)36-18-8-12-22-40(36)49)58-53(57-51)50-41-23-13-9-19-37(41)38-20-10-14-24-42(38)50/h7-32,49-50H,1-6H3
InChIKeySWBXAFLVMZWRDA-UHFFFAOYSA-N
XLogP13.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.00
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 170672621
3,6-ditert-butyl-9-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]carbazole
CID 146653896
3,6-ditert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903241
9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole
CID 167285139
10-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-21-phenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22,24,26,28-pentadecaene
CID 167023727
3,6-ditert-butyl-9-[4-(2,6-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 153459784
9-[2-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylphenyl]phenyl]-3,6-ditert-butylcarbazole
CID 155636636
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-ditert-butylcarbazole
CID 149127050
9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 170007998
1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine
CID 140917926
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]carbazole
CID 138549530
3-tert-butyl-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155463309

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4,6-bis(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole?
The IUPAC name of 9-[2-[4,6-bis(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole (CID 170365770) is 9-[2-[4,6-bis(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole.
What is the SMILES notation for 9-[2-[4,6-bis(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole?
The canonical SMILES for 9-[2-[4,6-bis(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccccc1-c1nc(C2c3ccccc3-c3ccccc32)nc(C2c3ccccc3-c3ccccc32)n1.
What is the InChIKey of 9-[2-[4,6-bis(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole?
The InChIKey is SWBXAFLVMZWRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H46N4/c1-54(2,3)33-27-29-47-44(31-33)45-32-34(55(4,5)6)28-30-48(45)59(47)46-26-16-15-25-43(46)51-56-52(49-39-21-11-7-17-35(39)36-18-8-12-22-40(36)49)58-53(57-51)50-41-23-13-9-19-37(41)38-20-10-14-24-42(38)50/h7-32,49-50H,1-6H3.
What are the key properties of 9-[2-[4,6-bis(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole?
9-[2-[4,6-bis(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole has a molecular weight of 763.00 g/mol, XLogP of 13.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4,6-bis(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole is sourced from PubChem (CID 170365770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).