bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline

C32H27BrN2 — CID 144639430

IUPACbromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline
SMILESCCBr.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C30H22N2.C2H5Br/c1-3-9-24(10-4-1)32(25-11-5-2-6-12-25)26-18-15-22(16-19-26)23-17-20-30-28(21-23)27-13-7-8-14-29(27)31-30;1-2-3/h1-21,31H;2H2,1H3
InChIKeyLYAMQDWKDMOSIH-UHFFFAOYSA-N
MW519.49 g/mol
LogP9.86
Rot. Bonds4

About bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline

bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline (PubChem CID 144639430) has the molecular formula C32H27BrN2 and a molecular weight of 519.49 g/mol. Its IUPAC name is bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Namebromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline
PubChem CID144639430
Molecular FormulaC32H27BrN2
Molecular Weight519.49 g/mol
Exact Mass518.14
IUPAC Namebromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline
SMILESCCBr.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C30H22N2.C2H5Br/c1-3-9-24(10-4-1)32(25-11-5-2-6-12-25)26-18-15-22(16-19-26)23-17-20-30-28(21-23)27-13-7-8-14-29(27)31-30;1-2-3/h1-21,31H;2H2,1H3
InChIKeyLYAMQDWKDMOSIH-UHFFFAOYSA-N
XLogP9.86
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.49
LogP ≤ 59.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(9H-carbazol-3-yl)-N,N-diphenylaniline;ethane
CID 144639434
N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-4-propylaniline
CID 59306714
N-[4-(9H-carbazol-3-yl)phenyl]-N-phenyl-3-propan-2-ylaniline
CID 59307180
4-[4-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 153492707
9H-carbazole;bis(N,N-diphenylaniline)
CID 174838898
6,7-dimethyl-N-phenyl-N-(4-phenylphenyl)-9H-carbazol-3-amine
CID 143420423
N-[2-(9H-carbazol-3-yl)phenyl]-N,2-diphenylaniline
CID 148771233
benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole
CID 143905034
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
ethane;N-[4-(3-naphthalen-1-ylquinoxalin-2-yl)phenyl]-N-phenyl-9H-carbazol-3-amine;propane
CID 143543385
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
N-phenyl-N-[4-[6-[4-[N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 59306973

Frequently Asked Questions

What is the IUPAC name of bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline?
The IUPAC name of bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline (CID 144639430) is bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline.
What is the SMILES notation for bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline?
The canonical SMILES for bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline is CCBr.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline?
The InChIKey is LYAMQDWKDMOSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2.C2H5Br/c1-3-9-24(10-4-1)32(25-11-5-2-6-12-25)26-18-15-22(16-19-26)23-17-20-30-28(21-23)27-13-7-8-14-29(27)31-30;1-2-3/h1-21,31H;2H2,1H3.
What are the key properties of bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline?
bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline has a molecular weight of 519.49 g/mol, XLogP of 9.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromoethane;4-(9H-carbazol-3-yl)-N,N-diphenylaniline is sourced from PubChem (CID 144639430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).