10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C51H44N2 — CID 146580531

IUPAC10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCN1c2ccccc2C(C)(Cc2cccc(C3(c4ccccc4)c4ccccc4N(C)c4ccccc43)c2)c2cc3c(cc21)C(C)(C)c1ccccc1-3
InChIInChI=1S/C51H44N2/c1-49(2)39-23-10-9-22-37(39)38-31-44-48(32-43(38)49)53(5)45-27-14-11-24-40(45)50(44,3)33-34-18-17-21-36(30-34)51(35-19-7-6-8-20-35)41-25-12-15-28-46(41)52(4)47-29-16-13-26-42(47)51/h6-32H,33H2,1-5H3
InChIKeyORTWPHRDHHVHNC-UHFFFAOYSA-N
MW684.93 g/mol
LogP12.09
Rot. Bonds4

About 10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-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 146580531) has the molecular formula C51H44N2 and a molecular weight of 684.93 g/mol. Its IUPAC name is 10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-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 Name10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID146580531
Molecular FormulaC51H44N2
Molecular Weight684.93 g/mol
Exact Mass684.35
IUPAC Name10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCN1c2ccccc2C(C)(Cc2cccc(C3(c4ccccc4)c4ccccc4N(C)c4ccccc43)c2)c2cc3c(cc21)C(C)(C)c1ccccc1-3
InChIInChI=1S/C51H44N2/c1-49(2)39-23-10-9-22-37(39)38-31-44-48(32-43(38)49)53(5)45-27-14-11-24-40(45)50(44,3)33-34-18-17-21-36(30-34)51(35-19-7-6-8-20-35)41-25-12-15-28-46(41)52(4)47-29-16-13-26-42(47)51/h6-32H,33H2,1-5H3
InChIKeyORTWPHRDHHVHNC-UHFFFAOYSA-N
XLogP12.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.93
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-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

10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene
CID 58184992
9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine
CID 153463086
9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene
CID 58233535
16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene
CID 139506238
9,9,10-trimethylacridine
CID 610451
12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;8,12,16,16,20,24-hexamethyl-5,5,27,27-tetraphenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;methane;8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene
CID 159857765
3,6-bis(10,10,14,21,21-pentamethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)furo[3,2-b]furan-2,5-dione
CID 118655459
N,N-bis[(9,9-dimethylfluoren-2-yl)methyl]ethanamine;N,N-bis(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;ethane
CID 157264085
4-[8-[9-[3-[8-[4,5-bis(9,9,10-trimethylacridin-4-yl)anthracen-9-yl]-9,9-diphenylfluoren-3-yl]phenyl]-10-methyl-9-phenylacridin-4-yl]-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]-10-methyl-9,9-diphenylacridine
CID 155334933
2-[4-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 160861810
2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene
CID 140873520
17,17,21,24,24-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.010,18.011,16.023,31.025,30]tritriaconta-1(22),2,4,6,8,10(18),11,13,15,19,23(31),25,27,29,32-pentadecaene
CID 139506414

Frequently Asked Questions

What is the IUPAC name of 10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-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 10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 146580531) is 10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-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 10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-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 10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is CN1c2ccccc2C(C)(Cc2cccc(C3(c4ccccc4)c4ccccc4N(C)c4ccccc43)c2)c2cc3c(cc21)C(C)(C)c1ccccc1-3.
What is the InChIKey of 10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-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 ORTWPHRDHHVHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H44N2/c1-49(2)39-23-10-9-22-37(39)38-31-44-48(32-43(38)49)53(5)45-27-14-11-24-40(45)50(44,3)33-34-18-17-21-36(30-34)51(35-19-7-6-8-20-35)41-25-12-15-28-46(41)52(4)47-29-16-13-26-42(47)51/h6-32H,33H2,1-5H3.
What are the key properties of 10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-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 684.93 g/mol, XLogP of 12.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,14,21-tetramethyl-21-[[3-(10-methyl-9-phenylacridin-9-yl)phenyl]methyl]-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 146580531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).