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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Related Compounds

3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 146258565
3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 139540581
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole
CID 139337053
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
3-bromo-9-[4-(2,3-dihydronaphthalen-1-yl)phenyl]carbazole
CID 90146999
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole
CID 90347889
3-bromo-6-dibenzofuran-4-yl-9-phenylcarbazole
CID 90089515
3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 166917771
9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole
CID 146489535

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).