N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline

C69H47N — CID 169019866

IUPACN-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(N(c5ccc(-c6ccc(-c7ccc8ccccc8c7)cc6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4)cccc32)cc1
InChIInChI=1S/C69H47N/c1-3-18-59(19-4-1)69(60-20-5-2-6-21-60)66-24-12-11-22-65(66)68-64(23-13-25-67(68)69)54-38-44-63(45-39-54)70(62-42-36-53(37-43-62)58-33-31-49-15-8-10-17-56(49)47-58)61-40-34-51(35-41-61)50-26-28-52(29-27-50)57-32-30-48-14-7-9-16-55(48)46-57/h1-47H
InChIKeyFYPSCCAMJLPLHL-UHFFFAOYSA-N
MW890.14 g/mol
LogP18.49
Rot. Bonds9

About N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline

N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline (PubChem CID 169019866) has the molecular formula C69H47N and a molecular weight of 890.14 g/mol. Its IUPAC name is N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
PubChem CID169019866
Molecular FormulaC69H47N
Molecular Weight890.14 g/mol
Exact Mass889.37
IUPAC NameN-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(N(c5ccc(-c6ccc(-c7ccc8ccccc8c7)cc6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4)cccc32)cc1
InChIInChI=1S/C69H47N/c1-3-18-59(19-4-1)69(60-20-5-2-6-21-60)66-24-12-11-22-65(66)68-64(23-13-25-67(68)69)54-38-44-63(45-39-54)70(62-42-36-53(37-43-62)58-33-31-49-15-8-10-17-56(49)47-58)61-40-34-51(35-41-61)50-26-28-52(29-27-50)57-32-30-48-14-7-9-16-55(48)46-57/h1-47H
InChIKeyFYPSCCAMJLPLHL-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

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Related Compounds

N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169020035
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-naphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169020066
2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline
CID 169019616
N-[6-[4-[3-[4-(N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 139394427
N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020516
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019479
4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247
1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine
CID 121361321
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 166565662
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 169019849

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline (CID 169019866) is N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(N(c5ccc(-c6ccc(-c7ccc8ccccc8c7)cc6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4)cccc32)cc1.
What is the InChIKey of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is FYPSCCAMJLPLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N/c1-3-18-59(19-4-1)69(60-20-5-2-6-21-60)66-24-12-11-22-65(66)68-64(23-13-25-67(68)69)54-38-44-63(45-39-54)70(62-42-36-53(37-43-62)58-33-31-49-15-8-10-17-56(49)47-58)61-40-34-51(35-41-61)50-26-28-52(29-27-50)57-32-30-48-14-7-9-16-55(48)46-57/h1-47H.
What are the key properties of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline?
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline 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 N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 169019866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).