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

C65H43N — CID 142614600

IUPACN,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cccc32)cc1
InChIInChI=1S/C65H43N/c1-3-20-48(21-4-1)65(49-22-5-2-6-23-49)61-31-16-15-30-58(61)64-62(65)32-17-33-63(64)66(50-38-34-44(35-39-50)59-42-46-18-7-9-24-52(46)54-26-11-13-28-56(54)59)51-40-36-45(37-41-51)60-43-47-19-8-10-25-53(47)55-27-12-14-29-57(55)60/h1-43H
InChIKeyJMRKUUHBNQDYOP-UHFFFAOYSA-N
MW838.07 g/mol
LogP17.47
Rot. Bonds7

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

N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 142614600) has the molecular formula C65H43N and a molecular weight of 838.07 g/mol. Its IUPAC name is N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID142614600
Molecular FormulaC65H43N
Molecular Weight838.07 g/mol
Exact Mass837.34
IUPAC NameN,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cccc32)cc1
InChIInChI=1S/C65H43N/c1-3-20-48(21-4-1)65(49-22-5-2-6-23-49)61-31-16-15-30-58(61)64-62(65)32-17-33-63(64)66(50-38-34-44(35-39-50)59-42-46-18-7-9-24-52(46)54-26-11-13-28-56(54)59)51-40-36-45(37-41-51)60-43-47-19-8-10-25-53(47)55-27-12-14-29-57(55)60/h1-43H
InChIKeyJMRKUUHBNQDYOP-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-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304825
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355194
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-6-amine
CID 166031981
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 121464379
2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169020447

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 142614600) is N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cccc32)cc1.
What is the InChIKey of N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is JMRKUUHBNQDYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N/c1-3-20-48(21-4-1)65(49-22-5-2-6-23-49)61-31-16-15-30-58(61)64-62(65)32-17-33-63(64)66(50-38-34-44(35-39-50)59-42-46-18-7-9-24-52(46)54-26-11-13-28-56(54)59)51-40-36-45(37-41-51)60-43-47-19-8-10-25-53(47)55-27-12-14-29-57(55)60/h1-43H.
What are the key properties of N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine?
N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-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-9-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 142614600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).