N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine

C59H43N — CID 167218668

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)c3ccc4c5ccccc5c5ccccc5c4c3)cc21
InChIInChI=1S/C59H43N/c1-58(2)53-27-15-14-25-49(53)50-33-30-41(36-55(50)58)60(40-29-32-48-46-23-11-10-21-44(46)45-22-12-13-24-47(45)52(48)35-40)42-31-34-51-56(37-42)59(3,39-19-8-5-9-20-39)54-28-16-26-43(57(51)54)38-17-6-4-7-18-38/h4-37H,1-3H3
InChIKeyZDRVLIRSYZUQDE-UHFFFAOYSA-N
MW766.00 g/mol
LogP15.92
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine (PubChem CID 167218668) has the molecular formula C59H43N and a molecular weight of 766.00 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine
PubChem CID167218668
Molecular FormulaC59H43N
Molecular Weight766.00 g/mol
Exact Mass765.34
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)c3ccc4c5ccccc5c5ccccc5c4c3)cc21
InChIInChI=1S/C59H43N/c1-58(2)53-27-15-14-25-49(53)50-33-30-41(36-55(50)58)60(40-29-32-48-46-23-11-10-21-44(46)45-22-12-13-24-47(45)52(48)35-40)42-31-34-51-56(37-42)59(3,39-19-8-5-9-20-39)54-28-16-26-43(57(51)54)38-17-6-4-7-18-38/h4-37H,1-3H3
InChIKeyZDRVLIRSYZUQDE-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.00
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine
CID 167219111
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine
CID 167219113
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5,9-diphenylfluoren-2-amine
CID 167218837
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 137467192
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine
CID 167218672
N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 170179873
N-[4-(7,7-dimethylbenzo[a]phenalen-1-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 167232505
N-(9-methyl-9-phenylfluoren-2-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062785
N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308231
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039545
N-(9-methyl-9-phenylfluoren-2-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
CID 169064957
N-(9-methyl-9-phenylfluoren-3-yl)-N-(9-methyl-9-phenylfluoren-4-yl)triphenylen-2-amine
CID 171453417

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine (CID 167218668) is N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine?
The InChIKey is ZDRVLIRSYZUQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N/c1-58(2)53-27-15-14-25-49(53)50-33-30-41(36-55(50)58)60(40-29-32-48-46-23-11-10-21-44(46)45-22-12-13-24-47(45)52(48)35-40)42-31-34-51-56(37-42)59(3,39-19-8-5-9-20-39)54-28-16-26-43(57(51)54)38-17-6-4-7-18-38/h4-37H,1-3H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine has a molecular weight of 766.00 g/mol, XLogP of 15.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine is sourced from PubChem (CID 167218668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).