10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]

C60H40N4 — CID 118231877

IUPAC10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5N(c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c5ccccc54)ccc32)cc1
InChIInChI=1S/C60H40N4/c1-39-28-32-44(33-29-39)63-55-25-13-9-21-47(55)48-36-42(31-35-56(48)63)43-30-34-46-45-20-8-10-22-49(45)60(52(46)37-43)50-23-11-14-26-57(50)64(58-27-15-12-24-51(58)60)59-61-53(40-16-4-2-5-17-40)38-54(62-59)41-18-6-3-7-19-41/h2-38H,1H3
InChIKeyJMUKGMUYRCXPSQ-UHFFFAOYSA-N
MW817.01 g/mol
LogP15.03
Rot. Bonds5

About 10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]

10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene] (PubChem CID 118231877) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is 10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
PubChem CID118231877
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC Name10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5N(c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c5ccccc54)ccc32)cc1
InChIInChI=1S/C60H40N4/c1-39-28-32-44(33-29-39)63-55-25-13-9-21-47(55)48-36-42(31-35-56(48)63)43-30-34-46-45-20-8-10-22-49(45)60(52(46)37-43)50-23-11-14-26-57(50)64(58-27-15-12-24-51(58)60)59-61-53(40-16-4-2-5-17-40)38-54(62-59)41-18-6-3-7-19-41/h2-38H,1H3
InChIKeyJMUKGMUYRCXPSQ-UHFFFAOYSA-N
XLogP15.03
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 159371492
10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 118231882
10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 157249791
3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276709
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-methylphenyl)carbazol-3-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylcarbazol-3-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 161485637
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918
3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole
CID 158661132
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
5-(4,6-diphenylpyrimidin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
CID 123558227

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]?
The IUPAC name of 10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene] (CID 118231877) is 10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene] is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5N(c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c5ccccc54)ccc32)cc1.
What is the InChIKey of 10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]?
The InChIKey is JMUKGMUYRCXPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-39-28-32-44(33-29-39)63-55-25-13-9-21-47(55)48-36-42(31-35-56(48)63)43-30-34-46-45-20-8-10-22-49(45)60(52(46)37-43)50-23-11-14-26-57(50)64(58-27-15-12-24-51(58)60)59-61-53(40-16-4-2-5-17-40)38-54(62-59)41-18-6-3-7-19-41/h2-38H,1H3.
What are the key properties of 10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]?
10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene] has a molecular weight of 817.01 g/mol, XLogP of 15.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 118231877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).