4-(9H-fluoren-3-yl)-N,N-diphenylaniline

C31H23N — CID 157436916

IUPAC4-(9H-fluoren-3-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3ccccc3C4)cc2)cc1
InChIInChI=1S/C31H23N/c1-3-10-27(11-4-1)32(28-12-5-2-6-13-28)29-19-17-23(18-20-29)24-15-16-26-21-25-9-7-8-14-30(25)31(26)22-24/h1-20,22H,21H2
InChIKeyOVJXHHFCRIYBKL-UHFFFAOYSA-N
MW409.53 g/mol
LogP8.39
Rot. Bonds4

About 4-(9H-fluoren-3-yl)-N,N-diphenylaniline

4-(9H-fluoren-3-yl)-N,N-diphenylaniline (PubChem CID 157436916) has the molecular formula C31H23N and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-(9H-fluoren-3-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(9H-fluoren-3-yl)-N,N-diphenylaniline
PubChem CID157436916
Molecular FormulaC31H23N
Molecular Weight409.53 g/mol
Exact Mass409.18
IUPAC Name4-(9H-fluoren-3-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3ccccc3C4)cc2)cc1
InChIInChI=1S/C31H23N/c1-3-10-27(11-4-1)32(28-12-5-2-6-13-28)29-19-17-23(18-20-29)24-15-16-26-21-25-9-7-8-14-30(25)31(26)22-24/h1-20,22H,21H2
InChIKeyOVJXHHFCRIYBKL-UHFFFAOYSA-N
XLogP8.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline
CID 158121495
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
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121465238
4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157107572
N,N-diphenyl-3-[6-[3-(N-phenylanilino)phenyl]-9H-fluoren-3-yl]aniline
CID 157405754
N,N-diphenyl-9H-fluoren-2-amine
CID 20734444
4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline
CID 121465169
N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 157272103
N,4-diphenyl-N-[4-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline;2-methyl-N-[4-[6-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-(2-methylphenyl)aniline;2-methyl-N-[4-[6-[4-(N-(2-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-phenylaniline;bis(4-methyl-N-[4-[6-[4-(N-(4-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-phenylaniline)
CID 157494177
N,N-bis(4-methylphenyl)-6,12-dihydroindeno[1,2-b]fluoren-2-amine
CID 71099967
N-[4-[2-methoxy-5-[4-(N-methylanilino)-3-phenylphenyl]phenyl]phenyl]-N-(4-phenylphenyl)pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-16-amine
CID 145318490

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-3-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(9H-fluoren-3-yl)-N,N-diphenylaniline (CID 157436916) is 4-(9H-fluoren-3-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(9H-fluoren-3-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(9H-fluoren-3-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3ccccc3C4)cc2)cc1.
What is the InChIKey of 4-(9H-fluoren-3-yl)-N,N-diphenylaniline?
The InChIKey is OVJXHHFCRIYBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N/c1-3-10-27(11-4-1)32(28-12-5-2-6-13-28)29-19-17-23(18-20-29)24-15-16-26-21-25-9-7-8-14-30(25)31(26)22-24/h1-20,22H,21H2.
What are the key properties of 4-(9H-fluoren-3-yl)-N,N-diphenylaniline?
4-(9H-fluoren-3-yl)-N,N-diphenylaniline has a molecular weight of 409.53 g/mol, XLogP of 8.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-3-yl)-N,N-diphenylaniline is sourced from PubChem (CID 157436916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).