N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine

C66H49N — CID 59308231

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccccc5)c(-c5ccccc5)c43)cc21
InChIInChI=1S/C66H49N/c1-65(2)58-30-18-16-27-49(58)51-35-32-46(39-60(51)65)67(47-33-36-52-50-28-17-19-31-59(50)66(3,4)61(52)40-47)45-34-37-54-57(38-45)48-26-14-15-29-53(48)63-56(43-22-10-6-11-23-43)41-55(42-20-8-5-9-21-42)62(64(54)63)44-24-12-7-13-25-44/h5-41H,1-4H3
InChIKeyYRGGVEYQJRXVQB-UHFFFAOYSA-N
MW856.13 g/mol
LogP18.23
Rot. Bonds6

About N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine (PubChem CID 59308231) has the molecular formula C66H49N and a molecular weight of 856.13 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
PubChem CID59308231
Molecular FormulaC66H49N
Molecular Weight856.13 g/mol
Exact Mass855.39
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccccc5)c(-c5ccccc5)c43)cc21
InChIInChI=1S/C66H49N/c1-65(2)58-30-18-16-27-49(58)51-35-32-46(39-60(51)65)67(47-33-36-52-50-28-17-19-31-59(50)66(3,4)61(52)40-47)45-34-37-54-57(38-45)48-26-14-15-29-53(48)63-56(43-22-10-6-11-23-43)41-55(42-20-8-5-9-21-42)62(64(54)63)44-24-12-7-13-25-44/h5-41H,1-4H3
InChIKeyYRGGVEYQJRXVQB-UHFFFAOYSA-N
XLogP18.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.13
LogP ≤ 518.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59307862
N-(1,2-dihydroacenaphthylen-5-yl)-N-(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308865
4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]-N,N-diphenylaniline
CID 59307951
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine
CID 158527440
9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine
CID 59308268
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine
CID 161446065
6-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N-dinaphthalen-2-yl-5,8-diphenyltriphenylen-2-amine;6-(3,5-dimethylphenyl)-N,N,5,8-tetraphenyltriphenylen-2-amine
CID 160617810
N-[4-[7-(9,9-dimethylfluoren-2-yl)-4-[4-(dinaphthalen-2-ylamino)phenyl]-3-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-7-phenanthren-9-yl-3-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3-phenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-phenyl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 159322213
N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine
CID 59307655
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine
CID 167218668
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
CID 118175587
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine (CID 59308231) is N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccccc5)c(-c5ccccc5)c43)cc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine?
The InChIKey is YRGGVEYQJRXVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H49N/c1-65(2)58-30-18-16-27-49(58)51-35-32-46(39-60(51)65)67(47-33-36-52-50-28-17-19-31-59(50)66(3,4)61(52)40-47)45-34-37-54-57(38-45)48-26-14-15-29-53(48)63-56(43-22-10-6-11-23-43)41-55(42-20-8-5-9-21-42)62(64(54)63)44-24-12-7-13-25-44/h5-41H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine has a molecular weight of 856.13 g/mol, XLogP of 18.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine is sourced from PubChem (CID 59308231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).