3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole

C57H43N — CID 59195703

IUPAC3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole
SMILESCn1c2ccccc2c2cc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)ccc21
InChIInChI=1S/C57H43N/c1-56(2)48-19-11-8-14-38(48)40-26-22-35(32-50(40)56)34-23-28-45-47(30-34)55(37-24-27-41-39-15-9-12-20-49(39)57(3,4)51(41)33-37)44-18-7-6-17-43(44)54(45)36-25-29-53-46(31-36)42-16-10-13-21-52(42)58(53)5/h6-33H,1-5H3
InChIKeyUYTSMBPHNOVXAA-UHFFFAOYSA-N
MW741.98 g/mol
LogP15.25
Rot. Bonds3

About 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole

3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole (PubChem CID 59195703) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole.

Molecular Properties

Compound Name3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole
PubChem CID59195703
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC Name3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole
SMILESCn1c2ccccc2c2cc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)ccc21
InChIInChI=1S/C57H43N/c1-56(2)48-19-11-8-14-38(48)40-26-22-35(32-50(40)56)34-23-28-45-47(30-34)55(37-24-27-41-39-15-9-12-20-49(39)57(3,4)51(41)33-37)44-18-7-6-17-43(44)54(45)36-25-29-53-46(31-36)42-16-10-13-21-52(42)58(53)5/h6-33H,1-5H3
InChIKeyUYTSMBPHNOVXAA-UHFFFAOYSA-N
XLogP15.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole
CID 59194893
9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole
CID 59195147
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
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
6-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]benzene-1,2,3,4,5-pentol
CID 149227774
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole
CID 159087841
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]pyrimidine
CID 59195618
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053

Frequently Asked Questions

What is the IUPAC name of 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole?
The IUPAC name of 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole (CID 59195703) is 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole.
What is the SMILES notation for 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole?
The canonical SMILES for 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole is Cn1c2ccccc2c2cc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)ccc21.
What is the InChIKey of 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole?
The InChIKey is UYTSMBPHNOVXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-56(2)48-19-11-8-14-38(48)40-26-22-35(32-50(40)56)34-23-28-45-47(30-34)55(37-24-27-41-39-15-9-12-20-49(39)57(3,4)51(41)33-37)44-18-7-6-17-43(44)54(45)36-25-29-53-46(31-36)42-16-10-13-21-52(42)58(53)5/h6-33H,1-5H3.
What are the key properties of 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole?
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole has a molecular weight of 741.98 g/mol, XLogP of 15.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole is sourced from PubChem (CID 59195703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).