5-(10-cyclohexa-1,3-dien-1-yl-9H-acridin-3-yl)-8,8,14,14-tetramethyl-11-(10-phenyl-9H-acridin-3-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

C62H51N3 — CID 70886216

IUPAC5-(10-cyclohexa-1,3-dien-1-yl-9H-acridin-3-yl)-8,8,14,14-tetramethyl-11-(10-phenyl-9H-acridin-3-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
SMILESCC1(C)c2ccccc2N2c3ccc(-c4ccc5c(c4)N(C4=CC=CCC4)c4ccccc4C5)cc3C(C)(C)c3cc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C5)cc1c32
InChIInChI=1S/C62H51N3/c1-61(2)50-23-13-16-26-56(50)65-57-32-31-40(41-27-29-45-33-43-17-11-14-24-54(43)63(58(45)38-41)48-19-7-5-8-20-48)35-51(57)62(3,4)53-37-47(36-52(61)60(53)65)42-28-30-46-34-44-18-12-15-25-55(44)64(59(46)39-42)49-21-9-6-10-22-49/h5-7,9-19,21-32,35-39H,8,20,33-34H2,1-4H3
InChIKeyQYJPTTGRMJJDPG-UHFFFAOYSA-N
MW838.11 g/mol
LogP16.42
Rot. Bonds4

About 5-(10-cyclohexa-1,3-dien-1-yl-9H-acridin-3-yl)-8,8,14,14-tetramethyl-11-(10-phenyl-9H-acridin-3-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

5-(10-cyclohexa-1,3-dien-1-yl-9H-acridin-3-yl)-8,8,14,14-tetramethyl-11-(10-phenyl-9H-acridin-3-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (PubChem CID 70886216) has the molecular formula C62H51N3 and a molecular weight of 838.11 g/mol. Its IUPAC name is 5-(10-cyclohexa-1,3-dien-1-yl-9H-acridin-3-yl)-8,8,14,14-tetramethyl-11-(10-phenyl-9H-acridin-3-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name5-(10-cyclohexa-1,3-dien-1-yl-9H-acridin-3-yl)-8,8,14,14-tetramethyl-11-(10-phenyl-9H-acridin-3-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
PubChem CID70886216
Molecular FormulaC62H51N3
Molecular Weight838.11 g/mol
Exact Mass837.41
IUPAC Name5-(10-cyclohexa-1,3-dien-1-yl-9H-acridin-3-yl)-8,8,14,14-tetramethyl-11-(10-phenyl-9H-acridin-3-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
SMILESCC1(C)c2ccccc2N2c3ccc(-c4ccc5c(c4)N(C4=CC=CCC4)c4ccccc4C5)cc3C(C)(C)c3cc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C5)cc1c32
InChIInChI=1S/C62H51N3/c1-61(2)50-23-13-16-26-56(50)65-57-32-31-40(41-27-29-45-33-43-17-11-14-24-54(43)63(58(45)38-41)48-19-7-5-8-20-48)35-51(57)62(3,4)53-37-47(36-52(61)60(53)65)42-28-30-46-34-44-18-12-15-25-55(44)64(59(46)39-42)49-21-9-6-10-22-49/h5-7,9-19,21-32,35-39H,8,20,33-34H2,1-4H3
InChIKeyQYJPTTGRMJJDPG-UHFFFAOYSA-N
XLogP16.42
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.11
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(10-cyclohexa-1,3-dien-1-yl-9H-acridin-3-yl)-8,8,14,14-tetramethyl-11-(10-phenyl-9H-acridin-3-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene with MolForge

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Related Compounds

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
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
8,8,14,14-tetramethyl-5,17-diphenyl-11-[4-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)phenyl]phenyl]-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 90330364
8,8,14,14-tetramethyl-11-[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]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90330276
8,8,14,14-tetramethyl-5,17-diphenyl-11-[9-phenyl-6-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)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 90330373
10-cyclohexa-1,3-dien-1-yl-2-[2-(6-cyclohexa-1,5-dien-3-yn-1-yl-2-phenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine
CID 137394884
9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine
CID 71007192
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
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
5-(9,9-dimethyl-10-phenylacridin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67326458
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949

Frequently Asked Questions

What is the IUPAC name of 5-(10-cyclohexa-1,3-dien-1-yl-9H-acridin-3-yl)-8,8,14,14-tetramethyl-11-(10-phenyl-9H-acridin-3-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 5-(10-cyclohexa-1,3-dien-1-yl-9H-acridin-3-yl)-8,8,14,14-tetramethyl-11-(10-phenyl-9H-acridin-3-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (CID 70886216) is 5-(10-cyclohexa-1,3-dien-1-yl-9H-acridin-3-yl)-8,8,14,14-tetramethyl-11-(10-phenyl-9H-acridin-3-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 5-(10-cyclohexa-1,3-dien-1-yl-9H-acridin-3-yl)-8,8,14,14-tetramethyl-11-(10-phenyl-9H-acridin-3-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 5-(10-cyclohexa-1,3-dien-1-yl-9H-acridin-3-yl)-8,8,14,14-tetramethyl-11-(10-phenyl-9H-acridin-3-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is CC1(C)c2ccccc2N2c3ccc(-c4ccc5c(c4)N(C4=CC=CCC4)c4ccccc4C5)cc3C(C)(C)c3cc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C5)cc1c32.
What is the InChIKey of 5-(10-cyclohexa-1,3-dien-1-yl-9H-acridin-3-yl)-8,8,14,14-tetramethyl-11-(10-phenyl-9H-acridin-3-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
The InChIKey is QYJPTTGRMJJDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H51N3/c1-61(2)50-23-13-16-26-56(50)65-57-32-31-40(41-27-29-45-33-43-17-11-14-24-54(43)63(58(45)38-41)48-19-7-5-8-20-48)35-51(57)62(3,4)53-37-47(36-52(61)60(53)65)42-28-30-46-34-44-18-12-15-25-55(44)64(59(46)39-42)49-21-9-6-10-22-49/h5-7,9-19,21-32,35-39H,8,20,33-34H2,1-4H3.
What are the key properties of 5-(10-cyclohexa-1,3-dien-1-yl-9H-acridin-3-yl)-8,8,14,14-tetramethyl-11-(10-phenyl-9H-acridin-3-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
5-(10-cyclohexa-1,3-dien-1-yl-9H-acridin-3-yl)-8,8,14,14-tetramethyl-11-(10-phenyl-9H-acridin-3-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene has a molecular weight of 838.11 g/mol, XLogP of 16.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(10-cyclohexa-1,3-dien-1-yl-9H-acridin-3-yl)-8,8,14,14-tetramethyl-11-(10-phenyl-9H-acridin-3-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 70886216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).