N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;ethane

C66H50N4 — CID 144768224

IUPACN-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;ethane
SMILESCC.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C64H44N4.C2H6/c1-6-20-45(21-7-1)46-34-38-52(39-35-46)68(54-42-43-60-58(44-54)56-31-18-19-33-59(56)64(60,50-26-12-4-13-27-50)51-28-14-5-15-29-51)53-40-36-47(37-41-53)55-30-16-17-32-57(55)63-66-61(48-22-8-2-9-23-48)65-62(67-63)49-24-10-3-11-25-49;1-2/h1-44H;1-2H3
InChIKeyDREZTDHFWSSSHN-UHFFFAOYSA-N
MW899.15 g/mol
LogP17.07
Rot. Bonds10

About N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;ethane

N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;ethane (PubChem CID 144768224) has the molecular formula C66H50N4 and a molecular weight of 899.15 g/mol. Its IUPAC name is N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;ethane.

Molecular Properties

Compound NameN-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;ethane
PubChem CID144768224
Molecular FormulaC66H50N4
Molecular Weight899.15 g/mol
Exact Mass898.40
IUPAC NameN-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;ethane
SMILESCC.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C64H44N4.C2H6/c1-6-20-45(21-7-1)46-34-38-52(39-35-46)68(54-42-43-60-58(44-54)56-31-18-19-33-59(56)64(60,50-26-12-4-13-27-50)51-28-14-5-15-29-51)53-40-36-47(37-41-53)55-30-16-17-32-57(55)63-66-61(48-22-8-2-9-23-48)65-62(67-63)49-24-10-3-11-25-49;1-2/h1-44H;1-2H3
InChIKeyDREZTDHFWSSSHN-UHFFFAOYSA-N
XLogP17.07
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.15
LogP ≤ 517.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858
4-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]-N,N-diphenylaniline;4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylfluoren-9-yl]-N,N-diphenylaniline;N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161181165
N-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 121422425
2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450656
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 130452555
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;ethane?
The IUPAC name of N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;ethane (CID 144768224) is N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;ethane.
What is the SMILES notation for N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;ethane?
The canonical SMILES for N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;ethane is CC.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;ethane?
The InChIKey is DREZTDHFWSSSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N4.C2H6/c1-6-20-45(21-7-1)46-34-38-52(39-35-46)68(54-42-43-60-58(44-54)56-31-18-19-33-59(56)64(60,50-26-12-4-13-27-50)51-28-14-5-15-29-51)53-40-36-47(37-41-53)55-30-16-17-32-57(55)63-66-61(48-22-8-2-9-23-48)65-62(67-63)49-24-10-3-11-25-49;1-2/h1-44H;1-2H3.
What are the key properties of N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;ethane?
N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;ethane has a molecular weight of 899.15 g/mol, XLogP of 17.07, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;ethane is sourced from PubChem (CID 144768224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).