21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one

C41H29NO — CID 164838773

IUPAC21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one
SMILESCC1(C)c2ccccc2C(=O)c2cc3c(cc21)-c1ccccc1C31c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C41H29NO/c1-40(2)31-18-8-7-17-28(31)39(43)30-25-36-29(24-35(30)40)27-16-6-9-19-32(27)41(36)33-20-10-12-22-37(33)42(26-14-4-3-5-15-26)38-23-13-11-21-34(38)41/h3-25H,1-2H3
InChIKeyXQLDVXYCDFEVTA-UHFFFAOYSA-N
MW551.69 g/mol
LogP9.70
Rot. Bonds1

About 21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one

21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one (PubChem CID 164838773) has the molecular formula C41H29NO and a molecular weight of 551.69 g/mol. Its IUPAC name is 21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one.

Molecular Properties

Compound Name21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one
PubChem CID164838773
Molecular FormulaC41H29NO
Molecular Weight551.69 g/mol
Exact Mass551.22
IUPAC Name21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one
SMILESCC1(C)c2ccccc2C(=O)c2cc3c(cc21)-c1ccccc1C31c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C41H29NO/c1-40(2)31-18-8-7-17-28(31)39(43)30-25-36-29(24-35(30)40)27-16-6-9-19-32(27)41(36)33-20-10-12-22-37(33)42(26-14-4-3-5-15-26)38-23-13-11-21-34(38)41/h3-25H,1-2H3
InChIKeyXQLDVXYCDFEVTA-UHFFFAOYSA-N
XLogP9.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one with MolForge

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Related Compounds

21,21-dimethyl-14-phenylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-anthracene]-9'-one
CID 71249599
N-(9,9-dimethylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309240
10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
CID 140898964
10,10-dimethyl-N,N,14-triphenylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-21,9'-fluorene]-18-amine
CID 166844469
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
21-phenylspiro[14-thia-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-anthracene]-9'-one
CID 71249547
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
N-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240335
10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 177278321
3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one
CID 142288083
N-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-10-phenyl-N-(2-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240757
10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one
CID 161296094

Frequently Asked Questions

What is the IUPAC name of 21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one?
The IUPAC name of 21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one (CID 164838773) is 21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one.
What is the SMILES notation for 21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one?
The canonical SMILES for 21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one is CC1(C)c2ccccc2C(=O)c2cc3c(cc21)-c1ccccc1C31c2ccccc2N(c2ccccc2)c2ccccc21.
What is the InChIKey of 21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one?
The InChIKey is XQLDVXYCDFEVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29NO/c1-40(2)31-18-8-7-17-28(31)39(43)30-25-36-29(24-35(30)40)27-16-6-9-19-32(27)41(36)33-20-10-12-22-37(33)42(26-14-4-3-5-15-26)38-23-13-11-21-34(38)41/h3-25H,1-2H3.
What are the key properties of 21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one?
21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one has a molecular weight of 551.69 g/mol, XLogP of 9.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one is sourced from PubChem (CID 164838773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).