3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one

C71H47N3O — CID 142288083

IUPAC3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(N4c5cc(-n6c7ccccc7c7ccccc76)ccc5C5(c6ccccc6-c6ccccc65)c5ccc(-n6c7ccccc7c7ccccc76)cc54)cc3)cc21
InChIInChI=1S/C71H47N3O/c1-70(2)57-24-10-5-23-55(57)69(75)56-38-33-45(41-62(56)70)44-31-34-46(35-32-44)72-67-42-47(73-63-27-13-6-19-51(63)52-20-7-14-28-64(52)73)36-39-60(67)71(58-25-11-3-17-49(58)50-18-4-12-26-59(50)71)61-40-37-48(43-68(61)72)74-65-29-15-8-21-53(65)54-22-9-16-30-66(54)74/h3-43H,1-2H3
InChIKeyWATGYQNIQSGUSY-UHFFFAOYSA-N
MW958.18 g/mol
LogP17.56
Rot. Bonds4

About 3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one

3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one (PubChem CID 142288083) has the molecular formula C71H47N3O and a molecular weight of 958.18 g/mol. Its IUPAC name is 3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one.

Molecular Properties

Compound Name3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one
PubChem CID142288083
Molecular FormulaC71H47N3O
Molecular Weight958.18 g/mol
Exact Mass957.37
IUPAC Name3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(N4c5cc(-n6c7ccccc7c7ccccc76)ccc5C5(c6ccccc6-c6ccccc65)c5ccc(-n6c7ccccc7c7ccccc76)cc54)cc3)cc21
InChIInChI=1S/C71H47N3O/c1-70(2)57-24-10-5-23-55(57)69(75)56-38-33-45(41-62(56)70)44-31-34-46(35-32-44)72-67-42-47(73-63-27-13-6-19-51(63)52-20-7-14-28-64(52)73)36-39-60(67)71(58-25-11-3-17-49(58)50-18-4-12-26-59(50)71)61-40-37-48(43-68(61)72)74-65-29-15-8-21-53(65)54-22-9-16-30-66(54)74/h3-43H,1-2H3
InChIKeyWATGYQNIQSGUSY-UHFFFAOYSA-N
XLogP17.56
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.18
LogP ≤ 517.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one
CID 142287992
3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 122367921
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one
CID 142288659
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one
CID 142288106
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
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 167177623
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one?
The IUPAC name of 3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one (CID 142288083) is 3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one.
What is the SMILES notation for 3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one?
The canonical SMILES for 3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one is CC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(N4c5cc(-n6c7ccccc7c7ccccc76)ccc5C5(c6ccccc6-c6ccccc65)c5ccc(-n6c7ccccc7c7ccccc76)cc54)cc3)cc21.
What is the InChIKey of 3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one?
The InChIKey is WATGYQNIQSGUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47N3O/c1-70(2)57-24-10-5-23-55(57)69(75)56-38-33-45(41-62(56)70)44-31-34-46(35-32-44)72-67-42-47(73-63-27-13-6-19-51(63)52-20-7-14-28-64(52)73)36-39-60(67)71(58-25-11-3-17-49(58)50-18-4-12-26-59(50)71)61-40-37-48(43-68(61)72)74-65-29-15-8-21-53(65)54-22-9-16-30-66(54)74/h3-43H,1-2H3.
What are the key properties of 3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one?
3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one has a molecular weight of 958.18 g/mol, XLogP of 17.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one is sourced from PubChem (CID 142288083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).