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

C55H41N — CID 129258966

IUPAC10,10,21,21-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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)N(c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccc(-c4ccccc4)cc21)c1ccccc1C3(C)C
InChIInChI=1S/C55H41N/c1-53(2)41-22-11-8-20-37(41)40-32-48-51(33-46(40)53)56(49-27-15-14-25-44(49)54(48,3)4)50-28-16-26-45-52(50)39-21-10-13-24-43(39)55(45)42-23-12-9-19-36(42)38-30-29-35(31-47(38)55)34-17-6-5-7-18-34/h5-33H,1-4H3
InChIKeyQTDBVQUTYNSXDK-UHFFFAOYSA-N
MW715.94 g/mol
LogP14.11
Rot. Bonds2

About 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

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 (PubChem CID 129258966) has the molecular formula C55H41N and a molecular weight of 715.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10,10,21,21-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
PubChem CID129258966
Molecular FormulaC55H41N
Molecular Weight715.94 g/mol
Exact Mass715.32
IUPAC Name10,10,21,21-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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)N(c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccc(-c4ccccc4)cc21)c1ccccc1C3(C)C
InChIInChI=1S/C55H41N/c1-53(2)41-22-11-8-20-37(41)40-32-48-51(33-46(40)53)56(49-27-15-14-25-44(49)54(48,3)4)50-28-16-26-45-52(50)39-21-10-13-24-43(39)55(45)42-23-12-9-19-36(42)38-30-29-35(31-47(38)55)34-17-6-5-7-18-34/h5-33H,1-4H3
InChIKeyQTDBVQUTYNSXDK-UHFFFAOYSA-N
XLogP14.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.94
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine
CID 129258942
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
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
CID 118153752
CID 118153752
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
CID 168750142
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]fluoren-2-amine
CID 58489858
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
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
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
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 129259092

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3c(cc21)N(c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccc(-c4ccccc4)cc21)c1ccccc1C3(C)C.
What is the InChIKey of 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?
The InChIKey is QTDBVQUTYNSXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N/c1-53(2)41-22-11-8-20-37(41)40-32-48-51(33-46(40)53)56(49-27-15-14-25-44(49)54(48,3)4)50-28-16-26-45-52(50)39-21-10-13-24-43(39)55(45)42-23-12-9-19-36(42)38-30-29-35(31-47(38)55)34-17-6-5-7-18-34/h5-33H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 715.94 g/mol, XLogP of 14.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129258966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).