N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]aniline

C60H52N4 — CID 66598728

IUPACN-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]aniline
SMILESCC(C)Cc1ccc(N(c2ccc(CC(C)C)cc2)c2ccc(C3(c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C60H52N4/c1-41(2)38-43-26-32-50(33-27-43)64(51-34-28-44(29-35-51)39-42(3)4)52-36-30-48(31-37-52)60(55-24-13-11-22-53(55)54-23-12-14-25-56(54)60)49-21-15-20-47(40-49)59-62-57(45-16-7-5-8-17-45)61-58(63-59)46-18-9-6-10-19-46/h5-37,40-42H,38-39H2,1-4H3
InChIKeyUXMHJMHFEVPRHA-UHFFFAOYSA-N
MW829.10 g/mol
LogP15.10
Rot. Bonds12

About N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]aniline

N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]aniline (PubChem CID 66598728) has the molecular formula C60H52N4 and a molecular weight of 829.10 g/mol. Its IUPAC name is N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]aniline
PubChem CID66598728
Molecular FormulaC60H52N4
Molecular Weight829.10 g/mol
Exact Mass828.42
IUPAC NameN-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]aniline
SMILESCC(C)Cc1ccc(N(c2ccc(CC(C)C)cc2)c2ccc(C3(c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C60H52N4/c1-41(2)38-43-26-32-50(33-27-43)64(51-34-28-44(29-35-51)39-42(3)4)52-36-30-48(31-37-52)60(55-24-13-11-22-53(55)54-23-12-14-25-56(54)60)49-21-15-20-47(40-49)59-62-57(45-16-7-5-8-17-45)61-58(63-59)46-18-9-6-10-19-46/h5-37,40-42H,38-39H2,1-4H3
InChIKeyUXMHJMHFEVPRHA-UHFFFAOYSA-N
XLogP15.10
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.10
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]aniline?
The IUPAC name of N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]aniline (CID 66598728) is N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]aniline.
What is the SMILES notation for N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]aniline?
The canonical SMILES for N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]aniline is CC(C)Cc1ccc(N(c2ccc(CC(C)C)cc2)c2ccc(C3(c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]aniline?
The InChIKey is UXMHJMHFEVPRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N4/c1-41(2)38-43-26-32-50(33-27-43)64(51-34-28-44(29-35-51)39-42(3)4)52-36-30-48(31-37-52)60(55-24-13-11-22-53(55)54-23-12-14-25-56(54)60)49-21-15-20-47(40-49)59-62-57(45-16-7-5-8-17-45)61-58(63-59)46-18-9-6-10-19-46/h5-37,40-42H,38-39H2,1-4H3.
What are the key properties of N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]aniline?
N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]aniline has a molecular weight of 829.10 g/mol, XLogP of 15.10, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]aniline is sourced from PubChem (CID 66598728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).