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

C41H29NO — CID 71249599

IUPAC21,21-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
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ccccc1C31c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C41H29NO/c1-40(2)34-22-12-13-23-37(34)42(26-14-4-3-5-15-26)38-25-35-30(24-36(38)40)27-16-6-9-19-31(27)41(35)32-20-10-7-17-28(32)39(43)29-18-8-11-21-33(29)41/h3-25H,1-2H3
InChIKeyFDOQREUIJUQFRW-UHFFFAOYSA-N
MW551.69 g/mol
LogP9.70
Rot. Bonds1

About 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

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 (PubChem CID 71249599) has the molecular formula C41H29NO and a molecular weight of 551.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name21,21-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
PubChem CID71249599
Molecular FormulaC41H29NO
Molecular Weight551.69 g/mol
Exact Mass551.22
IUPAC Name21,21-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
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ccccc1C31c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C41H29NO/c1-40(2)34-22-12-13-23-37(34)42(26-14-4-3-5-15-26)38-25-35-30(24-36(38)40)27-16-6-9-19-31(27)41(35)32-20-10-7-17-28(32)39(43)29-18-8-11-21-33(29)41/h3-25H,1-2H3
InChIKeyFDOQREUIJUQFRW-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-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 with MolForge

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Related Compounds

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
10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
CID 140898964
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
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
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12',12',14',14'-tetramethyl-5'-phenylspiro[fluorene-9,7'-naphtho[2,3-b]acridine]
CID 71249576
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
N-(9,9-dimethylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309240
11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene
CID 66805110
5,5,22,22,29,29-hexamethyl-16,35-diphenyl-1,9,16,35-tetrazaundecacyclo[28.11.1.19,17.02,28.04,26.06,25.08,23.010,15.034,42.036,41.021,43]tritetraconta-2(28),3,6,8(23),10,12,14,17,19,21(43),24,26,30(42),31,33,36,38,40-octadecaene
CID 58489868
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
CID 168750142
14-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130439455
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ccccc1C31c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is FDOQREUIJUQFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29NO/c1-40(2)34-22-12-13-23-37(34)42(26-14-4-3-5-15-26)38-25-35-30(24-36(38)40)27-16-6-9-19-31(27)41(35)32-20-10-7-17-28(32)39(43)29-18-8-11-21-33(29)41/h3-25H,1-2H3.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 71249599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).