N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine

C59H43N — CID 155304597

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3c(-c4cccc(-c5ccccc5)c4)c4ccccc4c4ccccc34)cc21
InChIInChI=1S/C59H43N/c1-59(2)55-32-17-16-29-50(55)51-36-34-46(39-56(51)59)60(45-33-35-47(41-21-8-4-9-22-41)54(38-45)42-23-10-5-11-24-42)58-53-31-15-13-28-49(53)48-27-12-14-30-52(48)57(58)44-26-18-25-43(37-44)40-19-6-3-7-20-40/h3-39H,1-2H3
InChIKeyVFJSYXJWRFLMIJ-UHFFFAOYSA-N
MW766.00 g/mol
LogP16.44
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine

N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine (PubChem CID 155304597) 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-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine
PubChem CID155304597
Molecular FormulaC59H43N
Molecular Weight766.00 g/mol
Exact Mass765.34
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3c(-c4cccc(-c5ccccc5)c4)c4ccccc4c4ccccc34)cc21
InChIInChI=1S/C59H43N/c1-59(2)55-32-17-16-29-50(55)51-36-34-46(39-56(51)59)60(45-33-35-47(41-21-8-4-9-22-41)54(38-45)42-23-10-5-11-24-42)58-53-31-15-13-28-49(53)48-27-12-14-30-52(48)57(58)44-26-18-25-43(37-44)40-19-6-3-7-20-40/h3-39H,1-2H3
InChIKeyVFJSYXJWRFLMIJ-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.00
LogP ≤ 516.44
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)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304244
N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine
CID 155305640
N-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304446
N-[4-[4-[4-[3-[10-[4-[4-[4-[3-[10-[3,5-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]phenyl]-2-phenylphenyl]phenyl]-N-[10-(4-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine
CID 155304160
N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-naphthalen-1-yltriphenylen-1-amine
CID 177294651
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167285846
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine
CID 167219111
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 121477343
N-[10-[3-[6-[2-[3-[4-[4-[[10-[3-(2-phenylphenyl)phenyl]phenanthren-9-yl]-(9,9'-spirobi[fluorene]-2-yl)amino]phenyl]phenyl]phenyl]phenyl]naphthalen-2-yl]phenyl]phenanthren-9-yl]-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155305435
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305411
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine (CID 155304597) is N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3c(-c4cccc(-c5ccccc5)c4)c4ccccc4c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine?
The InChIKey is VFJSYXJWRFLMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N/c1-59(2)55-32-17-16-29-50(55)51-36-34-46(39-56(51)59)60(45-33-35-47(41-21-8-4-9-22-41)54(38-45)42-23-10-5-11-24-42)58-53-31-15-13-28-49(53)48-27-12-14-30-52(48)57(58)44-26-18-25-43(37-44)40-19-6-3-7-20-40/h3-39H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine has a molecular weight of 766.00 g/mol, XLogP of 16.44, 7 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-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155304597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).