1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene

C41H33NO2 — CID 139233377

IUPAC1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene
SMILESCC1=CC2=C3CN(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)CC3=C3C=C(C)OC3(C)C2(C)O1
InChIInChI=1S/C41H33NO2/c1-24-19-36-31-22-42(23-32(31)37-20-25(2)44-40(37,4)39(36,3)43-24)26-17-18-30-29-13-7-10-16-35(29)41(38(30)21-26)33-14-8-5-11-27(33)28-12-6-9-15-34(28)41/h5-21H,22-23H2,1-4H3
InChIKeyCJNHLLHXWVCQOV-UHFFFAOYSA-N
MW571.72 g/mol
LogP8.84
Rot. Bonds1

About 1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene

1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene (PubChem CID 139233377) has the molecular formula C41H33NO2 and a molecular weight of 571.72 g/mol. Its IUPAC name is 1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene.

Molecular Properties

Compound Name1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene
PubChem CID139233377
Molecular FormulaC41H33NO2
Molecular Weight571.72 g/mol
Exact Mass571.25
IUPAC Name1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene
SMILESCC1=CC2=C3CN(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)CC3=C3C=C(C)OC3(C)C2(C)O1
InChIInChI=1S/C41H33NO2/c1-24-19-36-31-22-42(23-32(31)37-20-25(2)44-40(37,4)39(36,3)43-24)26-17-18-30-29-13-7-10-16-35(29)41(38(30)21-26)33-14-8-5-11-27(33)28-12-6-9-15-34(28)41/h5-21H,22-23H2,1-4H3
InChIKeyCJNHLLHXWVCQOV-UHFFFAOYSA-N
XLogP8.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.72
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
CID 134551753
CID 134551753
14-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 130262419
10,10,18,18,19,19,20,20-octamethyl-14-(9,9'-spirobi[fluorene]-2-yl)-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene
CID 126598837
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 58903596
CID 58607554
CID 58607554
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole
CID 59348265
7-(9,9'-spirobi[fluorene]-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
CID 171758272
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255

Frequently Asked Questions

What is the IUPAC name of 1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene?
The IUPAC name of 1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene (CID 139233377) is 1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene.
What is the SMILES notation for 1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene?
The canonical SMILES for 1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene is CC1=CC2=C3CN(c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)CC3=C3C=C(C)OC3(C)C2(C)O1.
What is the InChIKey of 1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene?
The InChIKey is CJNHLLHXWVCQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33NO2/c1-24-19-36-31-22-42(23-32(31)37-20-25(2)44-40(37,4)39(36,3)43-24)26-17-18-30-29-13-7-10-16-35(29)41(38(30)21-26)33-14-8-5-11-27(33)28-12-6-9-15-34(28)41/h5-21H,22-23H2,1-4H3.
What are the key properties of 1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene?
1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene has a molecular weight of 571.72 g/mol, XLogP of 8.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,14-tetramethyl-9-(9,9'-spirobi[fluorene]-2-yl)-3,15-dioxa-9-azatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene is sourced from PubChem (CID 139233377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).