11-(5-benzo[b][1]benzazepin-11-yl-8,8,21,21-tetramethyl-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl)benzo[b][1]benzazepine

C56H42N2 — CID 59182251

IUPAC11-(5-benzo[b][1]benzazepin-11-yl-8,8,21,21-tetramethyl-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl)benzo[b][1]benzazepine
SMILESCC1(C)c2cc(N3c4ccccc4C=Cc4ccccc43)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(N3c4ccccc4C=Cc4ccccc43)ccc2-1
InChIInChI=1S/C56H42N2/c1-55(2)45-19-13-18-43-53-42-31-29-40(58-51-22-11-7-16-37(51)26-27-38-17-8-12-23-52(38)58)33-47(42)56(3,4)48(53)34-44(54(43)45)41-30-28-39(32-46(41)55)57-49-20-9-5-14-35(49)24-25-36-15-6-10-21-50(36)57/h5-34H,1-4H3
InChIKeyRIUGFEYOJSXFEI-UHFFFAOYSA-N
MW742.97 g/mol
LogP15.36
Rot. Bonds2

About 11-(5-benzo[b][1]benzazepin-11-yl-8,8,21,21-tetramethyl-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl)benzo[b][1]benzazepine

11-(5-benzo[b][1]benzazepin-11-yl-8,8,21,21-tetramethyl-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl)benzo[b][1]benzazepine (PubChem CID 59182251) has the molecular formula C56H42N2 and a molecular weight of 742.97 g/mol. Its IUPAC name is 11-(5-benzo[b][1]benzazepin-11-yl-8,8,21,21-tetramethyl-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl)benzo[b][1]benzazepine.

Molecular Properties

Compound Name11-(5-benzo[b][1]benzazepin-11-yl-8,8,21,21-tetramethyl-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl)benzo[b][1]benzazepine
PubChem CID59182251
Molecular FormulaC56H42N2
Molecular Weight742.97 g/mol
Exact Mass742.33
IUPAC Name11-(5-benzo[b][1]benzazepin-11-yl-8,8,21,21-tetramethyl-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl)benzo[b][1]benzazepine
SMILESCC1(C)c2cc(N3c4ccccc4C=Cc4ccccc43)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(N3c4ccccc4C=Cc4ccccc43)ccc2-1
InChIInChI=1S/C56H42N2/c1-55(2)45-19-13-18-43-53-42-31-29-40(58-51-22-11-7-16-37(51)26-27-38-17-8-12-23-52(38)58)33-47(42)56(3,4)48(53)34-44(54(43)45)41-30-28-39(32-46(41)55)57-49-20-9-5-14-35(49)24-25-36-15-6-10-21-50(36)57/h5-34H,1-4H3
InChIKeyRIUGFEYOJSXFEI-UHFFFAOYSA-N
XLogP15.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.97
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 11-(5-benzo[b][1]benzazepin-11-yl-8,8,21,21-tetramethyl-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl)benzo[b][1]benzazepine with MolForge

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Related Compounds

8,8,21,21-tetramethyl-5,18-bis(2-phenylnaphthalen-1-yl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
CID 59182205
9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole
CID 59181852
11-[6-[(E)-2-[9,9-dimethyl-7-(10-phenylphenazin-5-yl)fluoren-2-yl]ethenyl]naphthalen-2-yl]benzo[b][1]benzazepine
CID 89071177
11-[7-[(E)-2-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 143984325
11-[7'-[2-(7-benzo[b][1]benzazepin-11-yl-9,9-dimethylfluoren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]benzo[b][1]benzazepine
CID 91041022
11-[7-[2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 90788530
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59220754
10-[7-[2-[4-(4-benzo[b][1]benzazepin-11-ylnaphthalen-1-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-5,5-dimethylphenothiazine
CID 91615182
10,10,21,21-tetramethyl-14-[9-(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-nonaen-14-yl)perylen-3-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-[6-(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-nonaen-14-yl)pyren-1-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-[7-(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-nonaen-14-yl)triphenylen-2-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 158665280
5-(4-tert-butylphenyl)-10-(9,9-dimethylfluoren-2-yl)phenazine
CID 168782836
8,14-bis(9,9-dimethylfluoren-2-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 153317294
3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine
CID 126614259

Frequently Asked Questions

What is the IUPAC name of 11-(5-benzo[b][1]benzazepin-11-yl-8,8,21,21-tetramethyl-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl)benzo[b][1]benzazepine?
The IUPAC name of 11-(5-benzo[b][1]benzazepin-11-yl-8,8,21,21-tetramethyl-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl)benzo[b][1]benzazepine (CID 59182251) is 11-(5-benzo[b][1]benzazepin-11-yl-8,8,21,21-tetramethyl-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl)benzo[b][1]benzazepine.
What is the SMILES notation for 11-(5-benzo[b][1]benzazepin-11-yl-8,8,21,21-tetramethyl-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl)benzo[b][1]benzazepine?
The canonical SMILES for 11-(5-benzo[b][1]benzazepin-11-yl-8,8,21,21-tetramethyl-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl)benzo[b][1]benzazepine is CC1(C)c2cc(N3c4ccccc4C=Cc4ccccc43)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(N3c4ccccc4C=Cc4ccccc43)ccc2-1.
What is the InChIKey of 11-(5-benzo[b][1]benzazepin-11-yl-8,8,21,21-tetramethyl-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl)benzo[b][1]benzazepine?
The InChIKey is RIUGFEYOJSXFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2/c1-55(2)45-19-13-18-43-53-42-31-29-40(58-51-22-11-7-16-37(51)26-27-38-17-8-12-23-52(38)58)33-47(42)56(3,4)48(53)34-44(54(43)45)41-30-28-39(32-46(41)55)57-49-20-9-5-14-35(49)24-25-36-15-6-10-21-50(36)57/h5-34H,1-4H3.
What are the key properties of 11-(5-benzo[b][1]benzazepin-11-yl-8,8,21,21-tetramethyl-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl)benzo[b][1]benzazepine?
11-(5-benzo[b][1]benzazepin-11-yl-8,8,21,21-tetramethyl-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl)benzo[b][1]benzazepine has a molecular weight of 742.97 g/mol, XLogP of 15.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5-benzo[b][1]benzazepin-11-yl-8,8,21,21-tetramethyl-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl)benzo[b][1]benzazepine is sourced from PubChem (CID 59182251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).