2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline

C54H36N4 — CID 68812374

IUPAC2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline
SMILESc1ccc(N(c2ccccc2-c2cccc3c2[nH]c2ccccc23)c2ccccc2-c2cccc3c2[nH]c2ccccc23)c(-c2cccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C54H36N4/c1-7-28-46-34(16-1)40-22-13-25-43(52(40)55-46)37-19-4-10-31-49(37)58(50-32-11-5-20-38(50)44-26-14-23-41-35-17-2-8-29-47(35)56-53(41)44)51-33-12-6-21-39(51)45-27-15-24-42-36-18-3-9-30-48(36)57-54(42)45/h1-33,55-57H
InChIKeyAATNVIYLULIZHV-UHFFFAOYSA-N
MW740.91 g/mol
LogP15.06
Rot. Bonds6

About 2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline

2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline (PubChem CID 68812374) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline
PubChem CID68812374
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline
SMILESc1ccc(N(c2ccccc2-c2cccc3c2[nH]c2ccccc23)c2ccccc2-c2cccc3c2[nH]c2ccccc23)c(-c2cccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C54H36N4/c1-7-28-46-34(16-1)40-22-13-25-43(52(40)55-46)37-19-4-10-31-49(37)58(50-32-11-5-20-38(50)44-26-14-23-41-35-17-2-8-29-47(35)56-53(41)44)51-33-12-6-21-39(51)45-27-15-24-42-36-18-3-9-30-48(36)57-54(42)45/h1-33,55-57H
InChIKeyAATNVIYLULIZHV-UHFFFAOYSA-N
XLogP15.06
TPSA50.61 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 515.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline?
The IUPAC name of 2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline (CID 68812374) is 2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline.
What is the SMILES notation for 2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline?
The canonical SMILES for 2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline is c1ccc(N(c2ccccc2-c2cccc3c2[nH]c2ccccc23)c2ccccc2-c2cccc3c2[nH]c2ccccc23)c(-c2cccc3c2[nH]c2ccccc23)c1.
What is the InChIKey of 2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline?
The InChIKey is AATNVIYLULIZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-7-28-46-34(16-1)40-22-13-25-43(52(40)55-46)37-19-4-10-31-49(37)58(50-32-11-5-20-38(50)44-26-14-23-41-35-17-2-8-29-47(35)56-53(41)44)51-33-12-6-21-39(51)45-27-15-24-42-36-18-3-9-30-48(36)57-54(42)45/h1-33,55-57H.
What are the key properties of 2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline?
2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline has a molecular weight of 740.91 g/mol, XLogP of 15.06, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline is sourced from PubChem (CID 68812374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).