3-bromo-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]carbazole

C28H20BrN — CID 90146999

IUPAC3-bromo-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccc(C2=c3ccccc3=CCC2)cc1
InChIInChI=1S/C28H20BrN/c29-21-14-17-28-26(18-21)25-9-3-4-11-27(25)30(28)22-15-12-20(13-16-22)24-10-5-7-19-6-1-2-8-23(19)24/h1-4,6-9,11-18H,5,10H2
InChIKeySLRSKUNQQOQIKA-UHFFFAOYSA-N
MW450.38 g/mol
LogP6.32
Rot. Bonds2

About 3-bromo-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]carbazole

3-bromo-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]carbazole (PubChem CID 90146999) has the molecular formula C28H20BrN and a molecular weight of 450.38 g/mol. Its IUPAC name is 3-bromo-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-bromo-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]carbazole
PubChem CID90146999
Molecular FormulaC28H20BrN
Molecular Weight450.38 g/mol
Exact Mass449.08
IUPAC Name3-bromo-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccc(C2=c3ccccc3=CCC2)cc1
InChIInChI=1S/C28H20BrN/c29-21-14-17-28-26(18-21)25-9-3-4-11-27(25)30(28)22-15-12-20(13-16-22)24-10-5-7-19-6-1-2-8-23(19)24/h1-4,6-9,11-18H,5,10H2
InChIKeySLRSKUNQQOQIKA-UHFFFAOYSA-N
XLogP6.32
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.38
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]carbazole?
The IUPAC name of 3-bromo-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]carbazole (CID 90146999) is 3-bromo-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]carbazole.
What is the SMILES notation for 3-bromo-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]carbazole?
The canonical SMILES for 3-bromo-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]carbazole is Brc1ccc2c(c1)c1ccccc1n2-c1ccc(C2=c3ccccc3=CCC2)cc1.
What is the InChIKey of 3-bromo-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]carbazole?
The InChIKey is SLRSKUNQQOQIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20BrN/c29-21-14-17-28-26(18-21)25-9-3-4-11-27(25)30(28)22-15-12-20(13-16-22)24-10-5-7-19-6-1-2-8-23(19)24/h1-4,6-9,11-18H,5,10H2.
What are the key properties of 3-bromo-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]carbazole?
3-bromo-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]carbazole has a molecular weight of 450.38 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]carbazole is sourced from PubChem (CID 90146999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).