10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine

C69H47N — CID 155304182

IUPAC10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(-c6ccccc6)ccc4-5)c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)c2)cc1
InChIInChI=1S/C69H47N/c1-6-21-48(22-7-1)52-27-20-28-53(45-52)50-37-40-57(41-38-50)70(68-64-36-19-17-34-60(64)59-33-16-18-35-63(59)67(68)51-25-10-3-11-26-51)58-42-44-62-61-43-39-54(49-23-8-2-9-24-49)46-65(61)69(66(62)47-58,55-29-12-4-13-30-55)56-31-14-5-15-32-56/h1-47H
InChIKeyKXWRJPLPEZGEGQ-UHFFFAOYSA-N
MW890.14 g/mol
LogP18.49
Rot. Bonds9

About 10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine

10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine (PubChem CID 155304182) has the molecular formula C69H47N and a molecular weight of 890.14 g/mol. Its IUPAC name is 10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine.

Molecular Properties

Compound Name10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
PubChem CID155304182
Molecular FormulaC69H47N
Molecular Weight890.14 g/mol
Exact Mass889.37
IUPAC Name10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(-c6ccccc6)ccc4-5)c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)c2)cc1
InChIInChI=1S/C69H47N/c1-6-21-48(22-7-1)52-27-20-28-53(45-52)50-37-40-57(41-38-50)70(68-64-36-19-17-34-60(64)59-33-16-18-35-63(59)67(68)51-25-10-3-11-26-51)58-42-44-62-61-43-39-54(49-23-8-2-9-24-49)46-65(61)69(66(62)47-58,55-29-12-4-13-30-55)56-31-14-5-15-32-56/h1-47H
InChIKeyKXWRJPLPEZGEGQ-UHFFFAOYSA-N
XLogP18.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.14
LogP ≤ 518.49
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,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304168
10-phenyl-N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304163
N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303553
N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304340
N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304244
N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155305261
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-[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-(9,9-diphenylfluoren-4-yl)-N-[4-[3-[10-[N-(9,9-diphenylfluoren-4-yl)-4-[4-[3-[10-(N-(9,9-diphenylfluoren-4-yl)-3-phenylanilino)phenanthren-9-yl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-10-phenylphenanthren-9-amine
CID 155305136
10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304643
N-[4-(2,5-diphenylphenyl)phenyl]-N-[10-(2-phenylphenyl)phenanthren-9-yl]-9,9'-spirobi[fluorene]-2-amine
CID 155305027
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine?
The IUPAC name of 10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine (CID 155304182) is 10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine.
What is the SMILES notation for 10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine?
The canonical SMILES for 10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(-c6ccccc6)ccc4-5)c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)c2)cc1.
What is the InChIKey of 10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine?
The InChIKey is KXWRJPLPEZGEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N/c1-6-21-48(22-7-1)52-27-20-28-53(45-52)50-37-40-57(41-38-50)70(68-64-36-19-17-34-60(64)59-33-16-18-35-63(59)67(68)51-25-10-3-11-26-51)58-42-44-62-61-43-39-54(49-23-8-2-9-24-49)46-65(61)69(66(62)47-58,55-29-12-4-13-30-55)56-31-14-5-15-32-56/h1-47H.
What are the key properties of 10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine?
10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine has a molecular weight of 890.14 g/mol, XLogP of 18.49, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine is sourced from PubChem (CID 155304182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).