9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole

C68H47NO — CID 87156778

IUPAC9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-n5c6ccccc6c6cc(-c7cccc8c7oc7ccccc78)ccc65)ccc34)cc21
InChIInChI=1S/C68H47NO/c1-67(2)57-24-11-7-16-45(57)47-32-28-41(37-59(47)67)64-51-20-5-6-21-52(51)65(42-29-33-48-46-17-8-12-25-58(46)68(3,4)60(48)38-42)56-39-43(31-34-53(56)64)69-61-26-13-9-18-49(61)55-36-40(30-35-62(55)69)44-22-15-23-54-50-19-10-14-27-63(50)70-66(44)54/h5-39H,1-4H3
InChIKeyYSWKHXWYAXNEDJ-UHFFFAOYSA-N
MW894.13 g/mol
LogP18.60
Rot. Bonds4

About 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole

9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole (PubChem CID 87156778) has the molecular formula C68H47NO and a molecular weight of 894.13 g/mol. Its IUPAC name is 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole.

Molecular Properties

Compound Name9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
PubChem CID87156778
Molecular FormulaC68H47NO
Molecular Weight894.13 g/mol
Exact Mass893.37
IUPAC Name9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-n5c6ccccc6c6cc(-c7cccc8c7oc7ccccc78)ccc65)ccc34)cc21
InChIInChI=1S/C68H47NO/c1-67(2)57-24-11-7-16-45(57)47-32-28-41(37-59(47)67)64-51-20-5-6-21-52(51)65(42-29-33-48-46-17-8-12-25-58(46)68(3,4)60(48)38-42)56-39-43(31-34-53(56)64)69-61-26-13-9-18-49(61)55-36-40(30-35-62(55)69)44-22-15-23-54-50-19-10-14-27-63(50)70-66(44)54/h5-39H,1-4H3
InChIKeyYSWKHXWYAXNEDJ-UHFFFAOYSA-N
XLogP18.60
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.13
LogP ≤ 518.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87153723
5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90225202
9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156706
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
CID 121449411
9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole
CID 59220162
3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole
CID 87156900
3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(6-phenyldibenzofuran-2-yl)carbazole
CID 170080701
3-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 163417875
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
CID 90191437
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775

Frequently Asked Questions

What is the IUPAC name of 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole?
The IUPAC name of 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole (CID 87156778) is 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole.
What is the SMILES notation for 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole?
The canonical SMILES for 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-n5c6ccccc6c6cc(-c7cccc8c7oc7ccccc78)ccc65)ccc34)cc21.
What is the InChIKey of 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole?
The InChIKey is YSWKHXWYAXNEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47NO/c1-67(2)57-24-11-7-16-45(57)47-32-28-41(37-59(47)67)64-51-20-5-6-21-52(51)65(42-29-33-48-46-17-8-12-25-58(46)68(3,4)60(48)38-42)56-39-43(31-34-53(56)64)69-61-26-13-9-18-49(61)55-36-40(30-35-62(55)69)44-22-15-23-54-50-19-10-14-27-63(50)70-66(44)54/h5-39H,1-4H3.
What are the key properties of 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole?
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole has a molecular weight of 894.13 g/mol, XLogP of 18.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole is sourced from PubChem (CID 87156778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).