N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine

C65H43N — CID 142614757

IUPACN,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)ccc32)cc1
InChIInChI=1S/C65H43N/c1-3-15-52(16-4-1)65(53-17-5-2-6-18-53)63-22-12-11-21-59(63)62-43-56(39-40-64(62)65)66(54-35-31-44(32-36-54)50-29-27-48-25-23-46-13-7-9-19-57(46)60(48)41-50)55-37-33-45(34-38-55)51-30-28-49-26-24-47-14-8-10-20-58(47)61(49)42-51/h1-43H
InChIKeyAIZMLUAMFHEUOP-UHFFFAOYSA-N
MW838.07 g/mol
LogP17.47
Rot. Bonds7

About N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine

N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine (PubChem CID 142614757) has the molecular formula C65H43N and a molecular weight of 838.07 g/mol. Its IUPAC name is N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine.

Molecular Properties

Compound NameN,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine
PubChem CID142614757
Molecular FormulaC65H43N
Molecular Weight838.07 g/mol
Exact Mass837.34
IUPAC NameN,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)ccc32)cc1
InChIInChI=1S/C65H43N/c1-3-15-52(16-4-1)65(53-17-5-2-6-18-53)63-22-12-11-21-59(63)62-43-56(39-40-64(62)65)66(54-35-31-44(32-36-54)50-29-27-48-25-23-46-13-7-9-19-57(46)60(48)41-50)55-37-33-45(34-38-55)51-30-28-49-26-24-47-14-8-10-20-58(47)61(49)42-51/h1-43H
InChIKeyAIZMLUAMFHEUOP-UHFFFAOYSA-N
XLogP17.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.07
LogP ≤ 517.47
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-naphthalen-2-yl-N-(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 142589076
N-(9,9-diphenylfluoren-3-yl)-N-(4-phenanthren-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121423713
N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614658
N-(9,9-diphenylfluoren-3-yl)-9-methyl-N-(4-phenanthren-2-ylphenyl)-9-phenylfluoren-3-amine
CID 171453565
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine
CID 177081102
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646
N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 135299595
N-(4-chrysen-3-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
CID 170139377
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine?
The IUPAC name of N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine (CID 142614757) is N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine.
What is the SMILES notation for N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine?
The canonical SMILES for N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)ccc32)cc1.
What is the InChIKey of N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine?
The InChIKey is AIZMLUAMFHEUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N/c1-3-15-52(16-4-1)65(53-17-5-2-6-18-53)63-22-12-11-21-59(63)62-43-56(39-40-64(62)65)66(54-35-31-44(32-36-54)50-29-27-48-25-23-46-13-7-9-19-57(46)60(48)41-50)55-37-33-45(34-38-55)51-30-28-49-26-24-47-14-8-10-20-58(47)61(49)42-51/h1-43H.
What are the key properties of N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine?
N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine has a molecular weight of 838.07 g/mol, XLogP of 17.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 142614757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).