9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole

C47H33N — CID 59195147

IUPAC9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-n4c5ccccc5c5ccccc54)c4ccc(-c5ccccc5)cc34)cc21
InChIInChI=1S/C47H33N/c1-47(2)41-21-11-8-16-33(41)34-26-25-32(29-42(34)47)45-37-19-6-7-20-38(37)46(39-27-24-31(28-40(39)45)30-14-4-3-5-15-30)48-43-22-12-9-17-35(43)36-18-10-13-23-44(36)48/h3-29H,1-2H3
InChIKeyXFAWERQAQZREEO-UHFFFAOYSA-N
MW611.79 g/mol
LogP12.73
Rot. Bonds3

About 9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole

9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole (PubChem CID 59195147) has the molecular formula C47H33N and a molecular weight of 611.79 g/mol. Its IUPAC name is 9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole.

Molecular Properties

Compound Name9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole
PubChem CID59195147
Molecular FormulaC47H33N
Molecular Weight611.79 g/mol
Exact Mass611.26
IUPAC Name9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-n4c5ccccc5c5ccccc54)c4ccc(-c5ccccc5)cc34)cc21
InChIInChI=1S/C47H33N/c1-47(2)41-21-11-8-16-33(41)34-26-25-32(29-42(34)47)45-37-19-6-7-20-38(37)46(39-27-24-31(28-40(39)45)30-14-4-3-5-15-30)48-43-22-12-9-17-35(43)36-18-10-13-23-44(36)48/h3-29H,1-2H3
InChIKeyXFAWERQAQZREEO-UHFFFAOYSA-N
XLogP12.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.79
LogP ≤ 512.73
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

9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole
CID 59195703
10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59195849
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
3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
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
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147

Frequently Asked Questions

What is the IUPAC name of 9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole?
The IUPAC name of 9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole (CID 59195147) is 9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole.
What is the SMILES notation for 9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole?
The canonical SMILES for 9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-n4c5ccccc5c5ccccc54)c4ccc(-c5ccccc5)cc34)cc21.
What is the InChIKey of 9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole?
The InChIKey is XFAWERQAQZREEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N/c1-47(2)41-21-11-8-16-33(41)34-26-25-32(29-42(34)47)45-37-19-6-7-20-38(37)46(39-27-24-31(28-40(39)45)30-14-4-3-5-15-30)48-43-22-12-9-17-35(43)36-18-10-13-23-44(36)48/h3-29H,1-2H3.
What are the key properties of 9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole?
9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole has a molecular weight of 611.79 g/mol, XLogP of 12.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole is sourced from PubChem (CID 59195147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).