3,6-dibromo-9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole

C32H21Br2N — CID 118972219

IUPAC3,6-dibromo-9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc(-c2cc3c(c4ccccc24)C=CCC3)cc1
InChIInChI=1S/C32H21Br2N/c33-22-11-15-31-29(18-22)30-19-23(34)12-16-32(30)35(31)24-13-9-20(10-14-24)28-17-21-5-1-2-6-25(21)26-7-3-4-8-27(26)28/h2-4,6-19H,1,5H2
InChIKeyQKPJZUYYFVMENW-UHFFFAOYSA-N
MW579.34 g/mol
LogP10.09
Rot. Bonds2

About 3,6-dibromo-9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole

3,6-dibromo-9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole (PubChem CID 118972219) has the molecular formula C32H21Br2N and a molecular weight of 579.34 g/mol. Its IUPAC name is 3,6-dibromo-9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole
PubChem CID118972219
Molecular FormulaC32H21Br2N
Molecular Weight579.34 g/mol
Exact Mass577.00
IUPAC Name3,6-dibromo-9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc(-c2cc3c(c4ccccc24)C=CCC3)cc1
InChIInChI=1S/C32H21Br2N/c33-22-11-15-31-29(18-22)30-19-23(34)12-16-32(30)35(31)24-13-9-20(10-14-24)28-17-21-5-1-2-6-25(21)26-7-3-4-8-27(26)28/h2-4,6-19H,1,5H2
InChIKeyQKPJZUYYFVMENW-UHFFFAOYSA-N
XLogP10.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.34
LogP ≤ 510.09
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-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole?
The IUPAC name of 3,6-dibromo-9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole (CID 118972219) is 3,6-dibromo-9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-dibromo-9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole?
The canonical SMILES for 3,6-dibromo-9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole is Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc(-c2cc3c(c4ccccc24)C=CCC3)cc1.
What is the InChIKey of 3,6-dibromo-9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole?
The InChIKey is QKPJZUYYFVMENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21Br2N/c33-22-11-15-31-29(18-22)30-19-23(34)12-16-32(30)35(31)24-13-9-20(10-14-24)28-17-21-5-1-2-6-25(21)26-7-3-4-8-27(26)28/h2-4,6-19H,1,5H2.
What are the key properties of 3,6-dibromo-9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole?
3,6-dibromo-9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole has a molecular weight of 579.34 g/mol, XLogP of 10.09, 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-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole is sourced from PubChem (CID 118972219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).