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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Related Compounds

3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride
CID 159380291
4-[3-(4-bromophenyl)carbazol-9-yl]aniline
CID 59282033
3-[4-[4-(2,3-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-6,7-dihydroquinazolin-2-yl]-9-phenylcarbazole
CID 88556531
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 66584191
3,6-dibromo-9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole
CID 118972219
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535

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).