N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine

C57H39N — CID 155304825

IUPACN-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C57H39N/c1-4-17-40(18-5-1)41-31-33-42(34-32-41)43-35-37-47(38-36-43)58(55-39-44-19-10-11-24-48(44)49-25-12-13-26-50(49)55)54-30-16-29-53-56(54)51-27-14-15-28-52(51)57(53,45-20-6-2-7-21-45)46-22-8-3-9-23-46/h1-39H
InChIKeyXOPZOCIFHAPXFJ-UHFFFAOYSA-N
MW737.95 g/mol
LogP15.16
Rot. Bonds7

About N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine

N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine (PubChem CID 155304825) has the molecular formula C57H39N and a molecular weight of 737.95 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
PubChem CID155304825
Molecular FormulaC57H39N
Molecular Weight737.95 g/mol
Exact Mass737.31
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C57H39N/c1-4-17-40(18-5-1)41-31-33-42(34-32-41)43-35-37-47(38-36-43)58(55-39-44-19-10-11-24-48(44)49-25-12-13-26-50(49)55)54-30-16-29-53-56(54)51-27-14-15-28-52(51)57(53,45-20-6-2-7-21-45)46-22-8-3-9-23-46/h1-39H
InChIKeyXOPZOCIFHAPXFJ-UHFFFAOYSA-N
XLogP15.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.95
LogP ≤ 515.16
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,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 142614600
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine
CID 169064250
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-(5-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167236384
N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 167234200
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355194
N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)phenanthren-9-amine
CID 171453100
N-(9,9-diphenylfluoren-4-yl)-6-[3-[4-[N-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)anilino]-9-phenylfluoren-9-yl]phenyl]-N-(3-phenanthren-2-ylphenyl)phenanthren-9-amine
CID 167247224
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine (CID 155304825) is N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The InChIKey is XOPZOCIFHAPXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N/c1-4-17-40(18-5-1)41-31-33-42(34-32-41)43-35-37-47(38-36-43)58(55-39-44-19-10-11-24-48(44)49-25-12-13-26-50(49)55)54-30-16-29-53-56(54)51-27-14-15-28-52(51)57(53,45-20-6-2-7-21-45)46-22-8-3-9-23-46/h1-39H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine has a molecular weight of 737.95 g/mol, XLogP of 15.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 155304825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).