2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline

C28H19ClN2 — CID 142745279

IUPAC2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline
SMILESNc1c(Cl)cccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1
InChIInChI=1S/C28H19ClN2/c29-25-10-5-9-22(28(25)30)20-13-15-27-24(17-20)23-8-3-4-11-26(23)31(27)21-14-12-18-6-1-2-7-19(18)16-21/h1-17H,30H2
InChIKeySIIUYIZJPUVLSM-UHFFFAOYSA-N
MW418.93 g/mol
LogP7.84
Rot. Bonds2

About 2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline

2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline (PubChem CID 142745279) has the molecular formula C28H19ClN2 and a molecular weight of 418.93 g/mol. Its IUPAC name is 2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline
PubChem CID142745279
Molecular FormulaC28H19ClN2
Molecular Weight418.93 g/mol
Exact Mass418.12
IUPAC Name2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline
SMILESNc1c(Cl)cccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1
InChIInChI=1S/C28H19ClN2/c29-25-10-5-9-22(28(25)30)20-13-15-27-24(17-20)23-8-3-4-11-26(23)31(27)21-14-12-18-6-1-2-7-19(18)16-21/h1-17H,30H2
InChIKeySIIUYIZJPUVLSM-UHFFFAOYSA-N
XLogP7.84
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.93
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[2-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764145
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[3-(2-phenylphenyl)phenyl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165109371
6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420566
11-naphthalen-2-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-b]carbazole
CID 167029703
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole
CID 146368758
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
CID 158991162
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole
CID 134369799

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline?
The IUPAC name of 2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline (CID 142745279) is 2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline.
What is the SMILES notation for 2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline?
The canonical SMILES for 2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline is Nc1c(Cl)cccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1.
What is the InChIKey of 2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline?
The InChIKey is SIIUYIZJPUVLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClN2/c29-25-10-5-9-22(28(25)30)20-13-15-27-24(17-20)23-8-3-4-11-26(23)31(27)21-14-12-18-6-1-2-7-19(18)16-21/h1-17H,30H2.
What are the key properties of 2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline?
2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline has a molecular weight of 418.93 g/mol, XLogP of 7.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline is sourced from PubChem (CID 142745279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).