14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C80H55N3 — CID 146213171

IUPAC14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2N(c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N8c9ccccc9C(C)(C)c9cc%10c%11ccccc%11n(-c%11ccccc%11)c%10cc98)ccc(c5c(-c5ccccc5)c4c4cccc2c34)c76)c2ccccc21
InChIInChI=1S/C80H55N3/c1-79(2)59-35-15-19-39-66(59)82(67-40-20-16-36-60(67)79)64-44-42-56-73-52(64)31-22-33-54(73)75-71(48-24-8-5-9-25-48)78-57-43-45-65(53-32-23-34-55(74(53)57)76(78)72(77(56)75)49-26-10-6-11-27-49)83-68-41-21-17-37-61(68)80(3,4)62-46-58-51-30-14-18-38-63(51)81(69(58)47-70(62)83)50-28-12-7-13-29-50/h5-47H,1-4H3
InChIKeyDSZLGBBADNRGBB-UHFFFAOYSA-N
MW1058.34 g/mol
LogP22.13
Rot. Bonds5

About 14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 146213171) has the molecular formula C80H55N3 and a molecular weight of 1058.34 g/mol. Its IUPAC name is 14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID146213171
Molecular FormulaC80H55N3
Molecular Weight1058.34 g/mol
Exact Mass1057.44
IUPAC Name14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2N(c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N8c9ccccc9C(C)(C)c9cc%10c%11ccccc%11n(-c%11ccccc%11)c%10cc98)ccc(c5c(-c5ccccc5)c4c4cccc2c34)c76)c2ccccc21
InChIInChI=1S/C80H55N3/c1-79(2)59-35-15-19-39-66(59)82(67-40-20-16-36-60(67)79)64-44-42-56-73-52(64)31-22-33-54(73)75-71(48-24-8-5-9-25-48)78-57-43-45-65(53-32-23-34-55(74(53)57)76(78)72(77(56)75)49-26-10-6-11-27-49)83-68-41-21-17-37-61(68)80(3,4)62-46-58-51-30-14-18-38-63(51)81(69(58)47-70(62)83)50-28-12-7-13-29-50/h5-47H,1-4H3
InChIKeyDSZLGBBADNRGBB-UHFFFAOYSA-N
XLogP22.13
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001058.34
LogP ≤ 522.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[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

14-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66805066
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
10-(3,5-dimethylphenyl)-14-[10-[10-(3,5-dimethylphenyl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl]anthracen-9-yl]-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459729
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]aniline
CID 90201353
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]aniline
CID 90201363
5-(21,21-dimethyl-14-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile
CID 147984764
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile
CID 137368773
8,8,14,14-tetramethyl-5,17-diphenyl-11-[9-phenyl-6-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazol-3-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330383
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
14,14,21-trimethyl-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146580601
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66804825

Frequently Asked Questions

What is the IUPAC name of 14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[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 14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 146213171) is 14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[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 14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[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 14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is CC1(C)c2ccccc2N(c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N8c9ccccc9C(C)(C)c9cc%10c%11ccccc%11n(-c%11ccccc%11)c%10cc98)ccc(c5c(-c5ccccc5)c4c4cccc2c34)c76)c2ccccc21.
What is the InChIKey of 14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is DSZLGBBADNRGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H55N3/c1-79(2)59-35-15-19-39-66(59)82(67-40-20-16-36-60(67)79)64-44-42-56-73-52(64)31-22-33-54(73)75-71(48-24-8-5-9-25-48)78-57-43-45-65(53-32-23-34-55(74(53)57)76(78)72(77(56)75)49-26-10-6-11-27-49)83-68-41-21-17-37-61(68)80(3,4)62-46-58-51-30-14-18-38-63(51)81(69(58)47-70(62)83)50-28-12-7-13-29-50/h5-47H,1-4H3.
What are the key properties of 14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[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 1058.34 g/mol, XLogP of 22.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[20-(9,9-dimethylacridin-10-yl)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaenyl]-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[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 146213171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).