N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]-6-[2-(9-phenylfluoren-9-yl)phenyl]aniline

C61H44N2 — CID 169292948

IUPACN,N-diphenyl-2-[2-(N-phenylanilino)phenyl]-6-[2-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2cccc(-c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccccc43)c2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C61H44N2/c1-6-25-45(26-7-1)61(56-41-20-16-35-50(56)51-36-17-21-42-57(51)61)58-43-22-18-37-52(58)54-39-24-40-55(60(54)63(48-31-12-4-13-32-48)49-33-14-5-15-34-49)53-38-19-23-44-59(53)62(46-27-8-2-9-28-46)47-29-10-3-11-30-47/h1-44H
InChIKeyVEAYXAZMKLXRDG-UHFFFAOYSA-N
MW805.04 g/mol
LogP16.32
Rot. Bonds10

About N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]-6-[2-(9-phenylfluoren-9-yl)phenyl]aniline

N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]-6-[2-(9-phenylfluoren-9-yl)phenyl]aniline (PubChem CID 169292948) has the molecular formula C61H44N2 and a molecular weight of 805.04 g/mol. Its IUPAC name is N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]-6-[2-(9-phenylfluoren-9-yl)phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-2-[2-(N-phenylanilino)phenyl]-6-[2-(9-phenylfluoren-9-yl)phenyl]aniline
PubChem CID169292948
Molecular FormulaC61H44N2
Molecular Weight805.04 g/mol
Exact Mass804.35
IUPAC NameN,N-diphenyl-2-[2-(N-phenylanilino)phenyl]-6-[2-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2cccc(-c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccccc43)c2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C61H44N2/c1-6-25-45(26-7-1)61(56-41-20-16-35-50(56)51-36-17-21-42-57(51)61)58-43-22-18-37-52(58)54-39-24-40-55(60(54)63(48-31-12-4-13-32-48)49-33-14-5-15-34-49)53-38-19-23-44-59(53)62(46-27-8-2-9-28-46)47-29-10-3-11-30-47/h1-44H
InChIKeyVEAYXAZMKLXRDG-UHFFFAOYSA-N
XLogP16.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.04
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 158652942
N-[4-(9-phenylfluoren-9-yl)phenyl]-N,3-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 158825710
9,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 121464349
9,9-diphenyl-N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine
CID 170116680
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
N-phenyl-N-(4-phenylphenyl)-2-[2-[3-phenyl-5-[9-phenyl-9-(2-phenylphenyl)fluoren-4-yl]phenyl]phenyl]aniline
CID 166987738
4-N-(9,9-diphenylfluoren-3-yl)-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-4-N-[2-(4-phenylphenyl)phenyl]benzene-1,4-diamine
CID 155096728
4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline
CID 134944054
1-N-(9,9-diphenylfluoren-3-yl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096776
N,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline
CID 169292985
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 121464379
1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 138519596

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]-6-[2-(9-phenylfluoren-9-yl)phenyl]aniline?
The IUPAC name of N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]-6-[2-(9-phenylfluoren-9-yl)phenyl]aniline (CID 169292948) is N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]-6-[2-(9-phenylfluoren-9-yl)phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]-6-[2-(9-phenylfluoren-9-yl)phenyl]aniline?
The canonical SMILES for N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]-6-[2-(9-phenylfluoren-9-yl)phenyl]aniline is c1ccc(N(c2ccccc2)c2ccccc2-c2cccc(-c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccccc43)c2N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]-6-[2-(9-phenylfluoren-9-yl)phenyl]aniline?
The InChIKey is VEAYXAZMKLXRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N2/c1-6-25-45(26-7-1)61(56-41-20-16-35-50(56)51-36-17-21-42-57(51)61)58-43-22-18-37-52(58)54-39-24-40-55(60(54)63(48-31-12-4-13-32-48)49-33-14-5-15-34-49)53-38-19-23-44-59(53)62(46-27-8-2-9-28-46)47-29-10-3-11-30-47/h1-44H.
What are the key properties of N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]-6-[2-(9-phenylfluoren-9-yl)phenyl]aniline?
N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]-6-[2-(9-phenylfluoren-9-yl)phenyl]aniline has a molecular weight of 805.04 g/mol, XLogP of 16.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]-6-[2-(9-phenylfluoren-9-yl)phenyl]aniline is sourced from PubChem (CID 169292948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).