9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole

C80H51Br2N5 — CID 161042085

IUPAC9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc2ccccc2c1.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc2c1
InChIInChI=1S/C46H29N3.C22H13Br2N.C12H9N/c1-2-12-31-27-32(22-21-30(31)11-1)47-45-25-23-33(48-41-17-7-3-13-35(41)36-14-4-8-18-42(36)48)28-39(45)40-29-34(24-26-46(40)47)49-43-19-9-5-15-37(43)38-16-6-10-20-44(38)49;23-16-6-9-21-19(12-16)20-13-17(24)7-10-22(20)25(21)18-8-5-14-3-1-2-4-15(14)11-18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-29H;1-13H;1-8,13H
InChIKeyUAZYJSNXIIHRFF-UHFFFAOYSA-N
MW1242.13 g/mol
LogP22.91
Rot. Bonds4

About 9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole

9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole (PubChem CID 161042085) has the molecular formula C80H51Br2N5 and a molecular weight of 1242.13 g/mol. Its IUPAC name is 9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole
PubChem CID161042085
Molecular FormulaC80H51Br2N5
Molecular Weight1242.13 g/mol
Exact Mass1239.25
IUPAC Name9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc2ccccc2c1.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc2c1
InChIInChI=1S/C46H29N3.C22H13Br2N.C12H9N/c1-2-12-31-27-32(22-21-30(31)11-1)47-45-25-23-33(48-41-17-7-3-13-35(41)36-14-4-8-18-42(36)48)28-39(45)40-29-34(24-26-46(40)47)49-43-19-9-5-15-37(43)38-16-6-10-20-44(38)49;23-16-6-9-21-19(12-16)20-13-17(24)7-10-22(20)25(21)18-8-5-14-3-1-2-4-15(14)11-18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-29H;1-13H;1-8,13H
InChIKeyUAZYJSNXIIHRFF-UHFFFAOYSA-N
XLogP22.91
TPSA35.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001242.13
LogP ≤ 522.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dibromo-9-naphthalen-2-ylcarbazole
CID 126674108
3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834
9-(6-bromo-9H-carbazol-3-yl)carbazole-3-carbonitrile
CID 122498912
11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole
CID 149025135
9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole
CID 166033097
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
12-(9H-carbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118535722
2-bromotriphenylene;6H-thieno[3,2-c]carbazole;6-triphenylen-2-ylthieno[3,2-c]carbazole
CID 159917553
2-(4-bromophenyl)-3-phenylquinoxaline;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazole
CID 159932179
3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole;3-carbazol-9-yl-9-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 157218905
9-(8-bromo-6,11-dihydrotetracen-2-yl)carbazole
CID 139329518
3-bromo-9-(1-phenylindol-6-yl)carbazole
CID 122666252

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole?
The IUPAC name of 9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole (CID 161042085) is 9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole.
What is the SMILES notation for 9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole?
The canonical SMILES for 9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole is Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc2ccccc2c1.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2cc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc2c1.
What is the InChIKey of 9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole?
The InChIKey is UAZYJSNXIIHRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3.C22H13Br2N.C12H9N/c1-2-12-31-27-32(22-21-30(31)11-1)47-45-25-23-33(48-41-17-7-3-13-35(41)36-14-4-8-18-42(36)48)28-39(45)40-29-34(24-26-46(40)47)49-43-19-9-5-15-37(43)38-16-6-10-20-44(38)49;23-16-6-9-21-19(12-16)20-13-17(24)7-10-22(20)25(21)18-8-5-14-3-1-2-4-15(14)11-18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-29H;1-13H;1-8,13H.
What are the key properties of 9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole?
9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole has a molecular weight of 1242.13 g/mol, XLogP of 22.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 161042085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).