9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole

C44H26Br2N2 — CID 166033097

IUPAC9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole
SMILESBrc1cc2cc(-n3c4ccccc4c4ccccc43)ccc2cc1-c1cc2cc(-n3c4ccccc4c4ccccc43)ccc2cc1Br
InChIInChI=1S/C44H26Br2N2/c45-39-25-28-18-20-31(47-41-13-5-1-9-33(41)34-10-2-6-14-42(34)47)21-29(28)24-38(39)37-23-27-17-19-32(22-30(27)26-40(37)46)48-43-15-7-3-11-35(43)36-12-4-8-16-44(36)48/h1-26H
InChIKeyJBDUCAGEVLVQQB-UHFFFAOYSA-N
MW742.51 g/mol
LogP13.38
Rot. Bonds3

About 9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole

9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole (PubChem CID 166033097) has the molecular formula C44H26Br2N2 and a molecular weight of 742.51 g/mol. Its IUPAC name is 9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole.

Molecular Properties

Compound Name9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole
PubChem CID166033097
Molecular FormulaC44H26Br2N2
Molecular Weight742.51 g/mol
Exact Mass740.05
IUPAC Name9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole
SMILESBrc1cc2cc(-n3c4ccccc4c4ccccc43)ccc2cc1-c1cc2cc(-n3c4ccccc4c4ccccc43)ccc2cc1Br
InChIInChI=1S/C44H26Br2N2/c45-39-25-28-18-20-31(47-41-13-5-1-9-33(41)34-10-2-6-14-42(34)47)21-29(28)24-38(39)37-23-27-17-19-32(22-30(27)26-40(37)46)48-43-15-7-3-11-35(43)36-12-4-8-16-44(36)48/h1-26H
InChIKeyJBDUCAGEVLVQQB-UHFFFAOYSA-N
XLogP13.38
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.51
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-9-naphthalen-2-ylcarbazole
CID 126674108
9-(8-bromo-6,11-dihydrotetracen-2-yl)carbazole
CID 139329518
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole
CID 161042085
11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole
CID 149025135
2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole
CID 90216158
2-[4-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole
CID 118265635
9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole
CID 58690855
12,12-dimethyl-16-naphthalen-2-yl-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122464085
3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
CID 118581886
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
9-[4-[6-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]carbazole
CID 58971525

Frequently Asked Questions

What is the IUPAC name of 9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole?
The IUPAC name of 9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole (CID 166033097) is 9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole.
What is the SMILES notation for 9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole?
The canonical SMILES for 9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole is Brc1cc2cc(-n3c4ccccc4c4ccccc43)ccc2cc1-c1cc2cc(-n3c4ccccc4c4ccccc43)ccc2cc1Br.
What is the InChIKey of 9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole?
The InChIKey is JBDUCAGEVLVQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26Br2N2/c45-39-25-28-18-20-31(47-41-13-5-1-9-33(41)34-10-2-6-14-42(34)47)21-29(28)24-38(39)37-23-27-17-19-32(22-30(27)26-40(37)46)48-43-15-7-3-11-35(43)36-12-4-8-16-44(36)48/h1-26H.
What are the key properties of 9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole?
9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole has a molecular weight of 742.51 g/mol, XLogP of 13.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole is sourced from PubChem (CID 166033097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).