11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene

C49H47N — CID 143983255

IUPAC11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene
SMILESCC1(C)C2=CC(C3=CC4C=CC=CC4C=C3)=CC3C2N(c2ccc(-c4ccc5c(c4)C(C)(C)C4C=CC=CC54)cc21)c1ccccc1C3(C)C
InChIInChI=1S/C49H47N/c1-47(2)38-16-10-9-15-36(38)37-23-21-33(26-40(37)47)34-22-24-45-41(27-34)49(5,6)43-29-35(32-20-19-30-13-7-8-14-31(30)25-32)28-42-46(43)50(45)44-18-12-11-17-39(44)48(42,3)4/h7-31,36,38,42,46H,1-6H3
InChIKeyYBTYGZVGQDBDIJ-UHFFFAOYSA-N
MW649.92 g/mol
LogP11.90
Rot. Bonds2

About 11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene

11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene (PubChem CID 143983255) has the molecular formula C49H47N and a molecular weight of 649.92 g/mol. Its IUPAC name is 11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene.

Molecular Properties

Compound Name11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene
PubChem CID143983255
Molecular FormulaC49H47N
Molecular Weight649.92 g/mol
Exact Mass649.37
IUPAC Name11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene
SMILESCC1(C)C2=CC(C3=CC4C=CC=CC4C=C3)=CC3C2N(c2ccc(-c4ccc5c(c4)C(C)(C)C4C=CC=CC54)cc21)c1ccccc1C3(C)C
InChIInChI=1S/C49H47N/c1-47(2)38-16-10-9-15-36(38)37-23-21-33(26-40(37)47)34-22-24-45-41(27-34)49(5,6)43-29-35(32-20-19-30-13-7-8-14-31(30)25-32)28-42-46(43)50(45)44-18-12-11-17-39(44)48(42,3)4/h7-31,36,38,42,46H,1-6H3
InChIKeyYBTYGZVGQDBDIJ-UHFFFAOYSA-N
XLogP11.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.92
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene with MolForge

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Related Compounds

3-[6-[6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]-6b,10a-dihydrofluoranthene
CID 59582849
9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene
CID 163803571
5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-16-(9,9-dimethylfluoren-2-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 70923500
7,9,9-trimethyl-4a,9a-dihydrofluorene
CID 142301822
9-(9,9-dimethyl-10-phenyl-4a,9a-dihydroacridin-2-yl)-11b,11c-dihydro-7H-benzo[c]carbazole
CID 134431507
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 145141242
5-[9-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-10-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine
CID 89111390
9-[4-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2,3-di(ethylidene)-6-naphthalen-2-ylnaphthalen-1-yl]phenanthrene
CID 91436051
CID 163533326
CID 163533326
2-[7-(9,9'-spirobi[fluorene]-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]
CID 123276399
5-dibenzothiophen-2-yl-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15(20),18-heptaene
CID 70885637
10-tert-butyl-2-(10-tert-butyl-9,9-dimethyl-8a,10a-dihydroacridin-3-yl)-5-(2-methylpropyl)-4a,10a-dihydrophenazine
CID 138646131

Frequently Asked Questions

What is the IUPAC name of 11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene?
The IUPAC name of 11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene (CID 143983255) is 11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene.
What is the SMILES notation for 11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene?
The canonical SMILES for 11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene is CC1(C)C2=CC(C3=CC4C=CC=CC4C=C3)=CC3C2N(c2ccc(-c4ccc5c(c4)C(C)(C)C4C=CC=CC54)cc21)c1ccccc1C3(C)C.
What is the InChIKey of 11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene?
The InChIKey is YBTYGZVGQDBDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H47N/c1-47(2)38-16-10-9-15-36(38)37-23-21-33(26-40(37)47)34-22-24-45-41(27-34)49(5,6)43-29-35(32-20-19-30-13-7-8-14-31(30)25-32)28-42-46(43)50(45)44-18-12-11-17-39(44)48(42,3)4/h7-31,36,38,42,46H,1-6H3.
What are the key properties of 11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene?
11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene has a molecular weight of 649.92 g/mol, XLogP of 11.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4a,8a-dihydronaphthalen-2-yl)-5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,15,17,19-octaene is sourced from PubChem (CID 143983255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).