10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane]

C58H45N3 — CID 163809128

IUPAC10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane]
SMILESc1cc(-c2ccccc2-n2c3ccccc3c3cc(N4c5ccccc5C5(c6ccccc64)C4CC6CC(C4)CC5C6)ccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H45N3/c1-7-22-51(44(16-1)39-14-13-15-42(35-39)59-52-23-8-2-17-45(52)46-18-3-9-24-53(46)59)61-54-25-10-4-19-47(54)48-36-43(28-29-55(48)61)60-56-26-11-5-20-49(56)58(50-21-6-12-27-57(50)60)40-31-37-30-38(33-40)34-41(58)32-37/h1-29,35-38,40-41H,30-34H2
InChIKeyLWPRLHFKXFFZKW-UHFFFAOYSA-N
MW784.02 g/mol
LogP15.07
Rot. Bonds4

About 10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane]

10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane] (PubChem CID 163809128) has the molecular formula C58H45N3 and a molecular weight of 784.02 g/mol. Its IUPAC name is 10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane].

Molecular Properties

Compound Name10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane]
PubChem CID163809128
Molecular FormulaC58H45N3
Molecular Weight784.02 g/mol
Exact Mass783.36
IUPAC Name10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane]
SMILESc1cc(-c2ccccc2-n2c3ccccc3c3cc(N4c5ccccc5C5(c6ccccc64)C4CC6CC(C4)CC5C6)ccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H45N3/c1-7-22-51(44(16-1)39-14-13-15-42(35-39)59-52-23-8-2-17-45(52)46-18-3-9-24-53(46)59)61-54-25-10-4-19-47(54)48-36-43(28-29-55(48)61)60-56-26-11-5-20-49(56)58(50-21-6-12-27-57(50)60)40-31-37-30-38(33-40)34-41(58)32-37/h1-29,35-38,40-41H,30-34H2
InChIKeyLWPRLHFKXFFZKW-UHFFFAOYSA-N
XLogP15.07
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.02
LogP ≤ 515.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-carbazol-9-yl-17-(2-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]
CID 167004612
triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane
CID 163761357
10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane]
CID 163667947
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 164810227
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810005
10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane]
CID 163736332
3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810026
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-[9-(3-phenylphenyl)carbazol-4-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164952773
3-(9-quinolin-8-ylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810027
9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole
CID 164819192
10-[2-carbazol-9-yl-4-(9,9-dimethylfluoren-3-yl)phenyl]spiro[acridine-9,2'-adamantane]
CID 163938551
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999

Frequently Asked Questions

What is the IUPAC name of 10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane]?
The IUPAC name of 10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane] (CID 163809128) is 10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane].
What is the SMILES notation for 10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane]?
The canonical SMILES for 10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane] is c1cc(-c2ccccc2-n2c3ccccc3c3cc(N4c5ccccc5C5(c6ccccc64)C4CC6CC(C4)CC5C6)ccc32)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane]?
The InChIKey is LWPRLHFKXFFZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N3/c1-7-22-51(44(16-1)39-14-13-15-42(35-39)59-52-23-8-2-17-45(52)46-18-3-9-24-53(46)59)61-54-25-10-4-19-47(54)48-36-43(28-29-55(48)61)60-56-26-11-5-20-49(56)58(50-21-6-12-27-57(50)60)40-31-37-30-38(33-40)34-41(58)32-37/h1-29,35-38,40-41H,30-34H2.
What are the key properties of 10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane]?
10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane] has a molecular weight of 784.02 g/mol, XLogP of 15.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane] is sourced from PubChem (CID 163809128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).