3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline

C54H36N4 — CID 141212248

IUPAC3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline
SMILESc1cc(-c2cccc3c2[nH]c2ccccc23)cc(N(c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)c1
InChIInChI=1S/C54H36N4/c1-4-22-49-43(13-1)46-19-8-16-40(52(46)55-49)34-25-29-37(30-26-34)58(38-31-27-35(28-32-38)41-17-9-20-47-44-14-2-5-23-50(44)56-53(41)47)39-12-7-11-36(33-39)42-18-10-21-48-45-15-3-6-24-51(45)57-54(42)48/h1-33,55-57H
InChIKeyBKGXFHZUNISVKZ-UHFFFAOYSA-N
MW740.91 g/mol
LogP15.06
Rot. Bonds6

About 3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline

3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline (PubChem CID 141212248) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline.

Molecular Properties

Compound Name3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline
PubChem CID141212248
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline
SMILESc1cc(-c2cccc3c2[nH]c2ccccc23)cc(N(c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)c1
InChIInChI=1S/C54H36N4/c1-4-22-49-43(13-1)46-19-8-16-40(52(46)55-49)34-25-29-37(30-26-34)58(38-31-27-35(28-32-38)41-17-9-20-47-44-14-2-5-23-50(44)56-53(41)47)39-12-7-11-36(33-39)42-18-10-21-48-45-15-3-6-24-51(45)57-54(42)48/h1-33,55-57H
InChIKeyBKGXFHZUNISVKZ-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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Related Compounds

1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
7-(9H-carbazol-1-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 154697177
9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine
CID 141087826
2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline
CID 166135032
8-(9H-carbazol-1-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 154697151
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
4-N-[4-[N-[4-(4-aminoanilino)phenyl]-4-(9H-carbazol-1-yl)anilino]phenyl]benzene-1,4-diamine
CID 175505714
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
8-(9H-carbazol-1-yl)-N,N-dinaphthalen-2-yldibenzothiophen-2-amine
CID 154697158
1-[7-(N-phenylanilino)dibenzothiophen-3-yl]-N,N-bis(4-phenylphenyl)-9H-carbazol-3-amine
CID 154697226
1-(3-bromo-4-phenylphenyl)-9H-carbazole
CID 175063940
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline?
The IUPAC name of 3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline (CID 141212248) is 3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline.
What is the SMILES notation for 3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline?
The canonical SMILES for 3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline is c1cc(-c2cccc3c2[nH]c2ccccc23)cc(N(c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)c1.
What is the InChIKey of 3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline?
The InChIKey is BKGXFHZUNISVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-4-22-49-43(13-1)46-19-8-16-40(52(46)55-49)34-25-29-37(30-26-34)58(38-31-27-35(28-32-38)41-17-9-20-47-44-14-2-5-23-50(44)56-53(41)47)39-12-7-11-36(33-39)42-18-10-21-48-45-15-3-6-24-51(45)57-54(42)48/h1-33,55-57H.
What are the key properties of 3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline?
3-(9H-carbazol-1-yl)-N,N-bis[4-(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 3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline is sourced from PubChem (CID 141212248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).