3-(4-bromocarbazol-9-yl)-5-phenoxy-N,N-diphenylaniline

C36H25BrN2O — CID 156686634

IUPAC3-(4-bromocarbazol-9-yl)-5-phenoxy-N,N-diphenylaniline
SMILESBrc1cccc2c1c1ccccc1n2-c1cc(Oc2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C36H25BrN2O/c37-33-20-12-22-35-36(33)32-19-10-11-21-34(32)39(35)29-23-28(24-31(25-29)40-30-17-8-3-9-18-30)38(26-13-4-1-5-14-26)27-15-6-2-7-16-27/h1-25H
InChIKeyAANARYXGZMAIPW-UHFFFAOYSA-N
MW581.51 g/mol
LogP10.81
Rot. Bonds6

About 3-(4-bromocarbazol-9-yl)-5-phenoxy-N,N-diphenylaniline

3-(4-bromocarbazol-9-yl)-5-phenoxy-N,N-diphenylaniline (PubChem CID 156686634) has the molecular formula C36H25BrN2O and a molecular weight of 581.51 g/mol. Its IUPAC name is 3-(4-bromocarbazol-9-yl)-5-phenoxy-N,N-diphenylaniline.

Molecular Properties

Compound Name3-(4-bromocarbazol-9-yl)-5-phenoxy-N,N-diphenylaniline
PubChem CID156686634
Molecular FormulaC36H25BrN2O
Molecular Weight581.51 g/mol
Exact Mass580.12
IUPAC Name3-(4-bromocarbazol-9-yl)-5-phenoxy-N,N-diphenylaniline
SMILESBrc1cccc2c1c1ccccc1n2-c1cc(Oc2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C36H25BrN2O/c37-33-20-12-22-35-36(33)32-19-10-11-21-34(32)39(35)29-23-28(24-31(25-29)40-30-17-8-3-9-18-30)38(26-13-4-1-5-14-26)27-15-6-2-7-16-27/h1-25H
InChIKeyAANARYXGZMAIPW-UHFFFAOYSA-N
XLogP10.81
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.51
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenoxy-1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-phenylanilino)-5-(9-phenylcarbazol-4-yl)oxyphenyl]anilino)phenyl]benzene-1,3-diamine
CID 163835811
3,5-diphenoxy-N,N-diphenylaniline
CID 158962448
N-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine
CID 144888442
3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 90061335
3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline
CID 170133412
9-[4-(N-[4-(4-hydroxycarbazol-9-yl)phenyl]anilino)phenyl]carbazol-4-ol
CID 175977986
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
3,5-di(carbazol-9-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 164822811
5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 145157990
N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline
CID 118315279
5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 58827958
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromocarbazol-9-yl)-5-phenoxy-N,N-diphenylaniline?
The IUPAC name of 3-(4-bromocarbazol-9-yl)-5-phenoxy-N,N-diphenylaniline (CID 156686634) is 3-(4-bromocarbazol-9-yl)-5-phenoxy-N,N-diphenylaniline.
What is the SMILES notation for 3-(4-bromocarbazol-9-yl)-5-phenoxy-N,N-diphenylaniline?
The canonical SMILES for 3-(4-bromocarbazol-9-yl)-5-phenoxy-N,N-diphenylaniline is Brc1cccc2c1c1ccccc1n2-c1cc(Oc2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-(4-bromocarbazol-9-yl)-5-phenoxy-N,N-diphenylaniline?
The InChIKey is AANARYXGZMAIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25BrN2O/c37-33-20-12-22-35-36(33)32-19-10-11-21-34(32)39(35)29-23-28(24-31(25-29)40-30-17-8-3-9-18-30)38(26-13-4-1-5-14-26)27-15-6-2-7-16-27/h1-25H.
What are the key properties of 3-(4-bromocarbazol-9-yl)-5-phenoxy-N,N-diphenylaniline?
3-(4-bromocarbazol-9-yl)-5-phenoxy-N,N-diphenylaniline has a molecular weight of 581.51 g/mol, XLogP of 10.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromocarbazol-9-yl)-5-phenoxy-N,N-diphenylaniline is sourced from PubChem (CID 156686634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).