9-(8-bromo-6,11-dihydrotetracen-2-yl)-1-methylcarbazole

C31H22BrN — CID 139329515

IUPAC9-(8-bromo-6,11-dihydrotetracen-2-yl)-1-methylcarbazole
SMILESCc1cccc2c3ccccc3n(-c3ccc4cc5c(cc4c3)Cc3ccc(Br)cc3C5)c12
InChIInChI=1S/C31H22BrN/c1-19-5-4-7-29-28-6-2-3-8-30(28)33(31(19)29)27-12-10-21-14-22-15-24-17-26(32)11-9-20(24)13-23(22)16-25(21)18-27/h2-12,14,16-18H,13,15H2,1H3
InChIKeyWXBNMHXUFJVSEQ-UHFFFAOYSA-N
MW488.43 g/mol
LogP8.50
Rot. Bonds1

About 9-(8-bromo-6,11-dihydrotetracen-2-yl)-1-methylcarbazole

9-(8-bromo-6,11-dihydrotetracen-2-yl)-1-methylcarbazole (PubChem CID 139329515) has the molecular formula C31H22BrN and a molecular weight of 488.43 g/mol. Its IUPAC name is 9-(8-bromo-6,11-dihydrotetracen-2-yl)-1-methylcarbazole.

Molecular Properties

Compound Name9-(8-bromo-6,11-dihydrotetracen-2-yl)-1-methylcarbazole
PubChem CID139329515
Molecular FormulaC31H22BrN
Molecular Weight488.43 g/mol
Exact Mass487.09
IUPAC Name9-(8-bromo-6,11-dihydrotetracen-2-yl)-1-methylcarbazole
SMILESCc1cccc2c3ccccc3n(-c3ccc4cc5c(cc4c3)Cc3ccc(Br)cc3C5)c12
InChIInChI=1S/C31H22BrN/c1-19-5-4-7-29-28-6-2-3-8-30(28)33(31(19)29)27-12-10-21-14-22-15-24-17-26(32)11-9-20(24)13-23(22)16-25(21)18-27/h2-12,14,16-18H,13,15H2,1H3
InChIKeyWXBNMHXUFJVSEQ-UHFFFAOYSA-N
XLogP8.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.43
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(8-bromo-6,11-dihydrotetracen-2-yl)carbazole
CID 139329518
9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole
CID 139329534
3,6-di(carbazol-9-yl)-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,12-dihydrotetracen-2-yl]carbazole
CID 139335356
9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,12-dihydrotetracen-2-yl]carbazole
CID 139335327
9-[8-(3-phenyl-2-benzothiophen-1-yl)-5,12-dihydrotetracen-2-yl]carbazole
CID 139335239
CID 157405970
CID 157405970
2,6-dibromo-9-naphthalen-2-ylcarbazole
CID 126674108
9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
CID 23399530
9-[8-(2,6-diphenylpyrimidin-4-yl)-5,12-dihydrotetracen-2-yl]carbazole
CID 139335308
9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole
CID 166033097
9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 170244542
9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole
CID 161042085

Frequently Asked Questions

What is the IUPAC name of 9-(8-bromo-6,11-dihydrotetracen-2-yl)-1-methylcarbazole?
The IUPAC name of 9-(8-bromo-6,11-dihydrotetracen-2-yl)-1-methylcarbazole (CID 139329515) is 9-(8-bromo-6,11-dihydrotetracen-2-yl)-1-methylcarbazole.
What is the SMILES notation for 9-(8-bromo-6,11-dihydrotetracen-2-yl)-1-methylcarbazole?
The canonical SMILES for 9-(8-bromo-6,11-dihydrotetracen-2-yl)-1-methylcarbazole is Cc1cccc2c3ccccc3n(-c3ccc4cc5c(cc4c3)Cc3ccc(Br)cc3C5)c12.
What is the InChIKey of 9-(8-bromo-6,11-dihydrotetracen-2-yl)-1-methylcarbazole?
The InChIKey is WXBNMHXUFJVSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22BrN/c1-19-5-4-7-29-28-6-2-3-8-30(28)33(31(19)29)27-12-10-21-14-22-15-24-17-26(32)11-9-20(24)13-23(22)16-25(21)18-27/h2-12,14,16-18H,13,15H2,1H3.
What are the key properties of 9-(8-bromo-6,11-dihydrotetracen-2-yl)-1-methylcarbazole?
9-(8-bromo-6,11-dihydrotetracen-2-yl)-1-methylcarbazole has a molecular weight of 488.43 g/mol, XLogP of 8.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-bromo-6,11-dihydrotetracen-2-yl)-1-methylcarbazole is sourced from PubChem (CID 139329515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).