2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline

C49H34ClN — CID 169293033

IUPAC2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline
SMILESClc1cccc(-c2cccc(C3(c4cccc(-c5ccccc5N(c5ccccc5)c5ccccc5)c4)c4ccccc4-c4ccccc43)c2)c1
InChIInChI=1S/C49H34ClN/c50-40-21-15-17-36(34-40)35-16-13-19-38(32-35)49(46-29-10-7-27-44(46)45-28-8-11-30-47(45)49)39-20-14-18-37(33-39)43-26-9-12-31-48(43)51(41-22-3-1-4-23-41)42-24-5-2-6-25-42/h1-34H
InChIKeyDDLGHAYVSUNXAX-UHFFFAOYSA-N
MW672.27 g/mol
LogP13.51
Rot. Bonds7

About 2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline

2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline (PubChem CID 169293033) has the molecular formula C49H34ClN and a molecular weight of 672.27 g/mol. Its IUPAC name is 2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline
PubChem CID169293033
Molecular FormulaC49H34ClN
Molecular Weight672.27 g/mol
Exact Mass671.24
IUPAC Name2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline
SMILESClc1cccc(-c2cccc(C3(c4cccc(-c5ccccc5N(c5ccccc5)c5ccccc5)c4)c4ccccc4-c4ccccc43)c2)c1
InChIInChI=1S/C49H34ClN/c50-40-21-15-17-36(34-40)35-16-13-19-38(32-35)49(46-29-10-7-27-44(46)45-28-8-11-30-47(45)49)39-20-14-18-37(33-39)43-26-9-12-31-48(43)51(41-22-3-1-4-23-41)42-24-5-2-6-25-42/h1-34H
InChIKeyDDLGHAYVSUNXAX-UHFFFAOYSA-N
XLogP13.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.27
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline
CID 169292985
N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169292940
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
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
N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 158652942
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)-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
N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298454
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
N-(3-chlorophenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90154262
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]fluoren-1-amine
CID 121381740

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline (CID 169293033) is 2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline is Clc1cccc(-c2cccc(C3(c4cccc(-c5ccccc5N(c5ccccc5)c5ccccc5)c4)c4ccccc4-c4ccccc43)c2)c1.
What is the InChIKey of 2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline?
The InChIKey is DDLGHAYVSUNXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34ClN/c50-40-21-15-17-36(34-40)35-16-13-19-38(32-35)49(46-29-10-7-27-44(46)45-28-8-11-30-47(45)49)39-20-14-18-37(33-39)43-26-9-12-31-48(43)51(41-22-3-1-4-23-41)42-24-5-2-6-25-42/h1-34H.
What are the key properties of 2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline?
2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline has a molecular weight of 672.27 g/mol, XLogP of 13.51, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 169293033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).