3,6-dibromo-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole

C24H17Br2N — CID 163886610

IUPAC3,6-dibromo-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2C1=CC=C(c2ccccc2)CC1
InChIInChI=1S/C24H17Br2N/c25-18-8-12-23-21(14-18)22-15-19(26)9-13-24(22)27(23)20-10-6-17(7-11-20)16-4-2-1-3-5-16/h1-6,8-10,12-15H,7,11H2
InChIKeyPXWJBDAWGDDYSO-UHFFFAOYSA-N
MW479.22 g/mol
LogP8.04
Rot. Bonds2

About 3,6-dibromo-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole

3,6-dibromo-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole (PubChem CID 163886610) has the molecular formula C24H17Br2N and a molecular weight of 479.22 g/mol. Its IUPAC name is 3,6-dibromo-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole
PubChem CID163886610
Molecular FormulaC24H17Br2N
Molecular Weight479.22 g/mol
Exact Mass476.97
IUPAC Name3,6-dibromo-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2C1=CC=C(c2ccccc2)CC1
InChIInChI=1S/C24H17Br2N/c25-18-8-12-23-21(14-18)22-15-19(26)9-13-24(22)27(23)20-10-6-17(7-11-20)16-4-2-1-3-5-16/h1-6,8-10,12-15H,7,11H2
InChIKeyPXWJBDAWGDDYSO-UHFFFAOYSA-N
XLogP8.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.22
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole?
The IUPAC name of 3,6-dibromo-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole (CID 163886610) is 3,6-dibromo-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole.
What is the SMILES notation for 3,6-dibromo-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole?
The canonical SMILES for 3,6-dibromo-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole is Brc1ccc2c(c1)c1cc(Br)ccc1n2C1=CC=C(c2ccccc2)CC1.
What is the InChIKey of 3,6-dibromo-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole?
The InChIKey is PXWJBDAWGDDYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Br2N/c25-18-8-12-23-21(14-18)22-15-19(26)9-13-24(22)27(23)20-10-6-17(7-11-20)16-4-2-1-3-5-16/h1-6,8-10,12-15H,7,11H2.
What are the key properties of 3,6-dibromo-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole?
3,6-dibromo-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole has a molecular weight of 479.22 g/mol, XLogP of 8.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole is sourced from PubChem (CID 163886610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).