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

C49H36N2 — CID 157405754

IUPACN,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9H-fluoren-3-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3ccc4c(c3)-c3cc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)ccc3C4)c2)cc1
InChIInChI=1S/C49H36N2/c1-5-17-42(18-6-1)50(43-19-7-2-8-20-43)46-25-13-15-36(32-46)38-27-29-40-31-41-30-28-39(35-49(41)48(40)34-38)37-16-14-26-47(33-37)51(44-21-9-3-10-22-44)45-23-11-4-12-24-45/h1-30,32-35H,31H2
InChIKeyBDGNTIFPCLMQDE-UHFFFAOYSA-N
MW652.84 g/mol
LogP13.53
Rot. Bonds8

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

N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9H-fluoren-3-yl]aniline (PubChem CID 157405754) has the molecular formula C49H36N2 and a molecular weight of 652.84 g/mol. Its IUPAC name is N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9H-fluoren-3-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9H-fluoren-3-yl]aniline
PubChem CID157405754
Molecular FormulaC49H36N2
Molecular Weight652.84 g/mol
Exact Mass652.29
IUPAC NameN,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9H-fluoren-3-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3ccc4c(c3)-c3cc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)ccc3C4)c2)cc1
InChIInChI=1S/C49H36N2/c1-5-17-42(18-6-1)50(43-19-7-2-8-20-43)46-25-13-15-36(32-46)38-27-29-40-31-41-30-28-39(35-49(41)48(40)34-38)37-16-14-26-47(33-37)51(44-21-9-3-10-22-44)45-23-11-4-12-24-45/h1-30,32-35H,31H2
InChIKeyBDGNTIFPCLMQDE-UHFFFAOYSA-N
XLogP13.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline
CID 158121495
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121465238
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-fluoren-3-yl]aniline;N,N-diphenyl-4-[6-(3-phenylphenyl)-9H-fluoren-3-yl]aniline;4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 161002585
4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157107572
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
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9H-fluoren-3-yl]aniline?
The IUPAC name of N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9H-fluoren-3-yl]aniline (CID 157405754) is N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9H-fluoren-3-yl]aniline.
What is the SMILES notation for N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9H-fluoren-3-yl]aniline?
The canonical SMILES for N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9H-fluoren-3-yl]aniline is c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c(c3)-c3cc(-c5cccc(N(c6ccccc6)c6ccccc6)c5)ccc3C4)c2)cc1.
What is the InChIKey of N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9H-fluoren-3-yl]aniline?
The InChIKey is BDGNTIFPCLMQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2/c1-5-17-42(18-6-1)50(43-19-7-2-8-20-43)46-25-13-15-36(32-46)38-27-29-40-31-41-30-28-39(35-49(41)48(40)34-38)37-16-14-26-47(33-37)51(44-21-9-3-10-22-44)45-23-11-4-12-24-45/h1-30,32-35H,31H2.
What are the key properties of N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9H-fluoren-3-yl]aniline?
N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9H-fluoren-3-yl]aniline has a molecular weight of 652.84 g/mol, XLogP of 13.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9H-fluoren-3-yl]aniline is sourced from PubChem (CID 157405754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).