2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline

C28H20N2 — CID 175875645

IUPAC2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline
SMILESNc1ccccc1-c1c(-c2cccc3ccccc23)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C28H20N2/c29-25-14-5-3-12-24(25)27-22(20-13-7-9-18-8-1-2-10-19(18)20)16-17-23-21-11-4-6-15-26(21)30-28(23)27/h1-17,30H,29H2
InChIKeyDESAYEUEMASSRB-UHFFFAOYSA-N
MW384.48 g/mol
LogP7.39
Rot. Bonds2

About 2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline

2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline (PubChem CID 175875645) has the molecular formula C28H20N2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline.

Molecular Properties

Compound Name2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline
PubChem CID175875645
Molecular FormulaC28H20N2
Molecular Weight384.48 g/mol
Exact Mass384.16
IUPAC Name2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline
SMILESNc1ccccc1-c1c(-c2cccc3ccccc23)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C28H20N2/c29-25-14-5-3-12-24(25)27-22(20-13-7-9-18-8-1-2-10-19(18)20)16-17-23-21-11-4-6-15-26(21)30-28(23)27/h1-17,30H,29H2
InChIKeyDESAYEUEMASSRB-UHFFFAOYSA-N
XLogP7.39
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-naphthalen-1-yl-9H-carbazol-1-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 166133613
N-[2-(2-phenyl-9H-carbazol-1-yl)phenyl]naphthalen-1-amine
CID 175536282
2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 69242330
2-phenyl-1-[2-(2-phenylphenyl)phenyl]-9H-carbazole
CID 175810987
16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
CID 86153881
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
2-[2-(9H-carbazol-1-yl)phenyl]-1-dibenzothiophen-1-yl-9H-carbazole
CID 166134111
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-fluoranthen-3-yl-9H-carbazole
CID 142752993
1,2-bis[2-(benzenesulfonyl)phenyl]-9H-carbazole
CID 174714913
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1,2-dinaphthalen-1-yltriphenylene
CID 166134407

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline?
The IUPAC name of 2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline (CID 175875645) is 2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline.
What is the SMILES notation for 2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline?
The canonical SMILES for 2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline is Nc1ccccc1-c1c(-c2cccc3ccccc23)ccc2c1[nH]c1ccccc12.
What is the InChIKey of 2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline?
The InChIKey is DESAYEUEMASSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2/c29-25-14-5-3-12-24(25)27-22(20-13-7-9-18-8-1-2-10-19(18)20)16-17-23-21-11-4-6-15-26(21)30-28(23)27/h1-17,30H,29H2.
What are the key properties of 2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline?
2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline has a molecular weight of 384.48 g/mol, XLogP of 7.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline is sourced from PubChem (CID 175875645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).