5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C52H43N3 — CID 70886157

IUPAC5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESCC1(C)c2cccc3c2-n2c4c1cc(N1C5=C(C=Cc6ccccc61)CCC=C5)cc4c1cc(N4C5=C(C=CCC5)C=Cc5ccccc54)cc(c12)C3(C)C
InChIInChI=1S/C52H43N3/c1-51(2)40-18-13-19-41-50(40)55-48-38(28-36(30-42(48)51)53-44-20-9-5-14-32(44)24-25-33-15-6-10-21-45(33)53)39-29-37(31-43(49(39)55)52(41,3)4)54-46-22-11-7-16-34(46)26-27-35-17-8-12-23-47(35)54/h5-7,9,11-16,18-20,22-31H,8,10,17,21H2,1-4H3
InChIKeyHIIRVHAMCAXRDH-UHFFFAOYSA-N
MW709.94 g/mol
LogP13.60
Rot. Bonds2

About 5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 70886157) has the molecular formula C52H43N3 and a molecular weight of 709.94 g/mol. Its IUPAC name is 5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID70886157
Molecular FormulaC52H43N3
Molecular Weight709.94 g/mol
Exact Mass709.35
IUPAC Name5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESCC1(C)c2cccc3c2-n2c4c1cc(N1C5=C(C=Cc6ccccc61)CCC=C5)cc4c1cc(N4C5=C(C=CCC5)C=Cc5ccccc54)cc(c12)C3(C)C
InChIInChI=1S/C52H43N3/c1-51(2)40-18-13-19-41-50(40)55-48-38(28-36(30-42(48)51)53-44-20-9-5-14-32(44)24-25-33-15-6-10-21-45(33)53)39-29-37(31-43(49(39)55)52(41,3)4)54-46-22-11-7-16-34(46)26-27-35-17-8-12-23-47(35)54/h5-7,9,11-16,18-20,22-31H,8,10,17,21H2,1-4H3
InChIKeyHIIRVHAMCAXRDH-UHFFFAOYSA-N
XLogP13.60
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.94
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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Related Compounds

8,8,14,14-tetramethyl-5-(5,6,9,10-tetrahydrobenzo[b][1]benzazepin-11-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 70893333
5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 70886019
11-[9,10-ditert-butyl-6-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-2-yl]benzo[b][1]benzazepine
CID 89090747
10-(9H-acridin-10-yl)-5-(2,9-dihydro-1H-acridin-10-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(19),17-octaene
CID 70886024
8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 70892815
8,8,14,14-tetramethyl-5-(10-phenylanthracen-9-yl)-17-(10-phenyl-1,2-dihydroanthracen-9-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 89065329
11-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]fluoren-2-yl]-9,10-dihydrobenzo[b][1]benzazepine
CID 89071716
11-[7'-[(E)-2-[9,9-dimethyl-7-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9,10-dihydrobenzo[b][1]benzazepine
CID 89071992
11-[6-[(E)-2-[7'-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]benzo[b][1]benzazepine
CID 89070967
11-[4-[4-[(2E,3Z)-2,3-di(ethylidene)-1-benzazepin-1-yl]phenyl]phenyl]-9,10-dihydrobenzo[b][1]benzazepine
CID 144909917
8,8,14,14-tetramethyl-5-phenyl-17-(10-phenyl-3,4-dihydroanthracen-9-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 70886167
10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine
CID 89111087

Frequently Asked Questions

What is the IUPAC name of 5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 70886157) is 5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is CC1(C)c2cccc3c2-n2c4c1cc(N1C5=C(C=Cc6ccccc61)CCC=C5)cc4c1cc(N4C5=C(C=CCC5)C=Cc5ccccc54)cc(c12)C3(C)C.
What is the InChIKey of 5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is HIIRVHAMCAXRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43N3/c1-51(2)40-18-13-19-41-50(40)55-48-38(28-36(30-42(48)51)53-44-20-9-5-14-32(44)24-25-33-15-6-10-21-45(33)53)39-29-37(31-43(49(39)55)52(41,3)4)54-46-22-11-7-16-34(46)26-27-35-17-8-12-23-47(35)54/h5-7,9,11-16,18-20,22-31H,8,10,17,21H2,1-4H3.
What are the key properties of 5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 709.94 g/mol, XLogP of 13.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 70886157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).