9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine

C46H33N — CID 129258942

IUPAC9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine
SMILESCC1(C)c2ccccc2N(c2cccc3c2-c2ccc(-c4ccccc4)cc2C32c3ccccc3-c3ccccc32)c2ccccc21
InChIInChI=1S/C46H33N/c1-45(2)37-21-10-12-24-41(37)47(42-25-13-11-22-38(42)45)43-26-14-23-39-44(43)34-28-27-31(30-15-4-3-5-16-30)29-40(34)46(39)35-19-8-6-17-32(35)33-18-7-9-20-36(33)46/h3-29H,1-2H3
InChIKeyAIESIGUKSUUQMU-UHFFFAOYSA-N
MW599.78 g/mol
LogP11.81
Rot. Bonds2

About 9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine

9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine (PubChem CID 129258942) has the molecular formula C46H33N and a molecular weight of 599.78 g/mol. Its IUPAC name is 9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine.

Molecular Properties

Compound Name9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine
PubChem CID129258942
Molecular FormulaC46H33N
Molecular Weight599.78 g/mol
Exact Mass599.26
IUPAC Name9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine
SMILESCC1(C)c2ccccc2N(c2cccc3c2-c2ccc(-c4ccccc4)cc2C32c3ccccc3-c3ccccc32)c2ccccc21
InChIInChI=1S/C46H33N/c1-45(2)37-21-10-12-24-41(37)47(42-25-13-11-22-38(42)45)43-26-14-23-39-44(43)34-28-27-31(30-15-4-3-5-16-30)29-40(34)46(39)35-19-8-6-17-32(35)33-18-7-9-20-36(33)46/h3-29H,1-2H3
InChIKeyAIESIGUKSUUQMU-UHFFFAOYSA-N
XLogP11.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.78
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10,10,21,21-tetramethyl-14-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 129258966
9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole
CID 129258967
10-[2-[7-[2-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylacridine
CID 130438692
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
CID 168750142
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
3-[4-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 167117925
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937
2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 154588638
CID 118153752
CID 118153752
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine?
The IUPAC name of 9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine (CID 129258942) is 9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine.
What is the SMILES notation for 9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine?
The canonical SMILES for 9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine is CC1(C)c2ccccc2N(c2cccc3c2-c2ccc(-c4ccccc4)cc2C32c3ccccc3-c3ccccc32)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine?
The InChIKey is AIESIGUKSUUQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N/c1-45(2)37-21-10-12-24-41(37)47(42-25-13-11-22-38(42)45)43-26-14-23-39-44(43)34-28-27-31(30-15-4-3-5-16-30)29-40(34)46(39)35-19-8-6-17-32(35)33-18-7-9-20-36(33)46/h3-29H,1-2H3.
What are the key properties of 9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine?
9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine has a molecular weight of 599.78 g/mol, XLogP of 11.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine is sourced from PubChem (CID 129258942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).