N,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline

C61H44N2 — CID 169292985

IUPACN,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3cccc(C4(c5cccc(-c6ccccc6N(c6ccccc6)c6ccccc6)c5)c5ccccc5-c5ccccc54)c3)c2)cc1
InChIInChI=1S/C61H44N2/c1-5-27-50(28-6-1)62(51-29-7-2-8-30-51)54-35-21-23-46(44-54)45-22-19-25-48(42-45)61(58-39-16-13-37-56(58)57-38-14-17-40-59(57)61)49-26-20-24-47(43-49)55-36-15-18-41-60(55)63(52-31-9-3-10-32-52)53-33-11-4-12-34-53/h1-44H
InChIKeyZWXWGODSPTUBLM-UHFFFAOYSA-N
MW805.04 g/mol
LogP16.32
Rot. Bonds10

About N,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline

N,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline (PubChem CID 169292985) has the molecular formula C61H44N2 and a molecular weight of 805.04 g/mol. Its IUPAC name is N,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline
PubChem CID169292985
Molecular FormulaC61H44N2
Molecular Weight805.04 g/mol
Exact Mass804.35
IUPAC NameN,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3cccc(C4(c5cccc(-c6ccccc6N(c6ccccc6)c6ccccc6)c5)c5ccccc5-c5ccccc54)c3)c2)cc1
InChIInChI=1S/C61H44N2/c1-5-27-50(28-6-1)62(51-29-7-2-8-30-51)54-35-21-23-46(44-54)45-22-19-25-48(42-45)61(58-39-16-13-37-56(58)57-38-14-17-40-59(57)61)49-26-20-24-47(43-49)55-36-15-18-41-60(55)63(52-31-9-3-10-32-52)53-33-11-4-12-34-53/h1-44H
InChIKeyZWXWGODSPTUBLM-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-[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
2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline
CID 169293033
N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169292940
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 159688731
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
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-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline
CID 162510727
9,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 121464349
3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 162510737
9,9-dimethyl-N-(2-phenylphenyl)-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]fluoren-2-amine
CID 176846292
N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298454
N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 159940117

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline?
The IUPAC name of N,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline (CID 169292985) is N,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline?
The canonical SMILES for N,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline is c1ccc(N(c2ccccc2)c2cccc(-c3cccc(C4(c5cccc(-c6ccccc6N(c6ccccc6)c6ccccc6)c5)c5ccccc5-c5ccccc54)c3)c2)cc1.
What is the InChIKey of N,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline?
The InChIKey is ZWXWGODSPTUBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N2/c1-5-27-50(28-6-1)62(51-29-7-2-8-30-51)54-35-21-23-46(44-54)45-22-19-25-48(42-45)61(58-39-16-13-37-56(58)57-38-14-17-40-59(57)61)49-26-20-24-47(43-49)55-36-15-18-41-60(55)63(52-31-9-3-10-32-52)53-33-11-4-12-34-53/h1-44H.
What are the key properties of N,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline?
N,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-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-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline is sourced from PubChem (CID 169292985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).