6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole

C120H72N8O — CID 167259999

IUPAC6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole
SMILESc1ccc(-n2c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)c7ccccc7n8-c7cccc8c7c7ccccc7n8-c7ccccc7)ccc6c5c4)cc32)cc1
InChIInChI=1S/C120H72N8O/c1-3-25-76(26-4-1)121-107-45-22-14-36-93(107)120-114(121)47-24-48-115(120)128-105-43-20-12-34-89(105)97-69-80(55-63-112(97)128)124-102-40-17-9-31-86(102)94-65-73(51-59-108(94)124)74-49-58-91-99-72-82(56-64-117(99)129-118(91)67-74)126-104-42-19-11-33-88(104)96-71-81(54-62-111(96)126)127-106-44-21-13-35-92(106)119-83(37-23-46-113(119)127)75-50-57-90-98-70-79(52-60-109(98)122(116(90)66-75)77-27-5-2-6-28-77)125-103-41-18-10-32-87(103)95-68-78(53-61-110(95)125)123-100-38-15-7-29-84(100)85-30-8-16-39-101(85)123/h1-72H
InChIKeyBIJJVBUHPNNQRI-UHFFFAOYSA-N
MW1641.95 g/mol
LogP31.70
Rot. Bonds10

About 6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole

6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole (PubChem CID 167259999) has the molecular formula C120H72N8O and a molecular weight of 1641.95 g/mol. Its IUPAC name is 6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole.

Molecular Properties

Compound Name6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole
PubChem CID167259999
Molecular FormulaC120H72N8O
Molecular Weight1641.95 g/mol
Exact Mass1640.58
IUPAC Name6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole
SMILESc1ccc(-n2c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)c7ccccc7n8-c7cccc8c7c7ccccc7n8-c7ccccc7)ccc6c5c4)cc32)cc1
InChIInChI=1S/C120H72N8O/c1-3-25-76(26-4-1)121-107-45-22-14-36-93(107)120-114(121)47-24-48-115(120)128-105-43-20-12-34-89(105)97-69-80(55-63-112(97)128)124-102-40-17-9-31-86(102)94-65-73(51-59-108(94)124)74-49-58-91-99-72-82(56-64-117(99)129-118(91)67-74)126-104-42-19-11-33-88(104)96-71-81(54-62-111(96)126)127-106-44-21-13-35-92(106)119-83(37-23-46-113(119)127)75-50-57-90-98-70-79(52-60-109(98)122(116(90)66-75)77-27-5-2-6-28-77)125-103-41-18-10-32-87(103)95-68-78(53-61-110(95)125)123-100-38-15-7-29-84(100)85-30-8-16-39-101(85)123/h1-72H
InChIKeyBIJJVBUHPNNQRI-UHFFFAOYSA-N
XLogP31.70
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms129
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001641.95
LogP ≤ 531.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole?
The IUPAC name of 6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole (CID 167259999) is 6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole.
What is the SMILES notation for 6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole?
The canonical SMILES for 6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole is c1ccc(-n2c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)c7ccccc7n8-c7cccc8c7c7ccccc7n8-c7ccccc7)ccc6c5c4)cc32)cc1.
What is the InChIKey of 6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole?
The InChIKey is BIJJVBUHPNNQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H72N8O/c1-3-25-76(26-4-1)121-107-45-22-14-36-93(107)120-114(121)47-24-48-115(120)128-105-43-20-12-34-89(105)97-69-80(55-63-112(97)128)124-102-40-17-9-31-86(102)94-65-73(51-59-108(94)124)74-49-58-91-99-72-82(56-64-117(99)129-118(91)67-74)126-104-42-19-11-33-88(104)96-71-81(54-62-111(96)126)127-106-44-21-13-35-92(106)119-83(37-23-46-113(119)127)75-50-57-90-98-70-79(52-60-109(98)122(116(90)66-75)77-27-5-2-6-28-77)125-103-41-18-10-32-87(103)95-68-78(53-61-110(95)125)123-100-38-15-7-29-84(100)85-30-8-16-39-101(85)123/h1-72H.
What are the key properties of 6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole?
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole has a molecular weight of 1641.95 g/mol, XLogP of 31.70, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole is sourced from PubChem (CID 167259999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).