3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole

C56H39N3 — CID 118014196

IUPAC3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccn6)c5)ccc43)ccc21
InChIInChI=1S/C56H39N3/c1-56(2)49-19-9-6-16-43(49)46-35-41(25-26-50(46)56)58-52-21-10-7-17-44(52)47-33-37(23-27-54(47)58)38-24-28-55-48(34-38)45-18-8-11-22-53(45)59(55)42-31-39(36-14-4-3-5-15-36)30-40(32-42)51-20-12-13-29-57-51/h3-35H,1-2H3
InChIKeyNXDIMXBBKBNTOK-UHFFFAOYSA-N
MW753.95 g/mol
LogP14.58
Rot. Bonds5

About 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole

3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole (PubChem CID 118014196) has the molecular formula C56H39N3 and a molecular weight of 753.95 g/mol. Its IUPAC name is 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole
PubChem CID118014196
Molecular FormulaC56H39N3
Molecular Weight753.95 g/mol
Exact Mass753.31
IUPAC Name3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccn6)c5)ccc43)ccc21
InChIInChI=1S/C56H39N3/c1-56(2)49-19-9-6-16-43(49)46-35-41(25-26-50(46)56)58-52-21-10-7-17-44(52)47-33-37(23-27-54(47)58)38-24-28-55-48(34-38)45-18-8-11-22-53(45)59(55)42-31-39(36-14-4-3-5-15-36)30-40(32-42)51-20-12-13-29-57-51/h3-35H,1-2H3
InChIKeyNXDIMXBBKBNTOK-UHFFFAOYSA-N
XLogP14.58
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole
CID 145327834
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 159307111
3-(9,9-dimethylfluoren-2-yl)-9-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole;9-(3,5-diphenylphenyl)-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 158206724
7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine
CID 163733291
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
2-[2-(9,9-dimethylfluoren-2-yl)-4-pyridinyl]-9-(3,5-diphenylphenyl)carbazole
CID 129312221
3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole
CID 145327492
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;3-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)pyrimidin-4-yl]-9-phenylcarbazole;9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole
CID 159446739
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 71248523

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole?
The IUPAC name of 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole (CID 118014196) is 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole.
What is the SMILES notation for 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole?
The canonical SMILES for 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccn6)c5)ccc43)ccc21.
What is the InChIKey of 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole?
The InChIKey is NXDIMXBBKBNTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N3/c1-56(2)49-19-9-6-16-43(49)46-35-41(25-26-50(46)56)58-52-21-10-7-17-44(52)47-33-37(23-27-54(47)58)38-24-28-55-48(34-38)45-18-8-11-22-53(45)59(55)42-31-39(36-14-4-3-5-15-36)30-40(32-42)51-20-12-13-29-57-51/h3-35H,1-2H3.
What are the key properties of 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole?
3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole has a molecular weight of 753.95 g/mol, XLogP of 14.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 118014196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).