N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline

C61H43N — CID 129256095

IUPACN,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)-c5cc(-c7ccccc7)cc(-c7ccccc7)c5C6c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C61H43N/c1-6-16-43(17-7-1)46-30-35-54(36-31-46)62(53-24-14-5-15-25-53)55-37-32-47(33-38-55)45-26-28-48(29-27-45)51-34-39-56-58(40-51)59-42-52(44-18-8-2-9-19-44)41-57(49-20-10-3-11-21-49)61(59)60(56)50-22-12-4-13-23-50/h1-42,60H
InChIKeyQGSXSDROFPRIKE-UHFFFAOYSA-N
MW790.02 g/mol
LogP16.65
Rot. Bonds9

About N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline

N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline (PubChem CID 129256095) has the molecular formula C61H43N and a molecular weight of 790.02 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline
PubChem CID129256095
Molecular FormulaC61H43N
Molecular Weight790.02 g/mol
Exact Mass789.34
IUPAC NameN,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)-c5cc(-c7ccccc7)cc(-c7ccccc7)c5C6c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C61H43N/c1-6-16-43(17-7-1)46-30-35-54(36-31-46)62(53-24-14-5-15-25-53)55-37-32-47(33-38-55)45-26-28-48(29-27-45)51-34-39-56-58(40-51)59-42-52(44-18-8-2-9-19-44)41-57(49-20-10-3-11-21-49)61(59)60(56)50-22-12-4-13-23-50/h1-42,60H
InChIKeyQGSXSDROFPRIKE-UHFFFAOYSA-N
XLogP16.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.02
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline
CID 145060230
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
4-[3,6-bis(2-phenylphenyl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(3-phenylphenyl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline;4-[3,6-bis(4-phenylphenyl)-9H-fluoren-9-yl]-N-methyl-N-phenylaniline
CID 162262327
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine
CID 129265016
4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943793
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N-[4-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665574
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 146664996
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline
CID 126492683
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline (CID 129256095) is N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)-c5cc(-c7ccccc7)cc(-c7ccccc7)c5C6c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline?
The InChIKey is QGSXSDROFPRIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N/c1-6-16-43(17-7-1)46-30-35-54(36-31-46)62(53-24-14-5-15-25-53)55-37-32-47(33-38-55)45-26-28-48(29-27-45)51-34-39-56-58(40-51)59-42-52(44-18-8-2-9-19-44)41-57(49-20-10-3-11-21-49)61(59)60(56)50-22-12-4-13-23-50/h1-42,60H.
What are the key properties of N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline?
N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline has a molecular weight of 790.02 g/mol, XLogP of 16.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 129256095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).