11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine

C68H48N2 — CID 59220622

IUPAC11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESc1ccc2c(c1)CCc1ccccc1N2c1ccc2c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c2c1
InChIInChI=1S/C68H48N2/c1-7-23-55-45(15-1)21-13-25-56(55)47-31-37-52(38-32-47)67-59-41-39-54(70-65-29-11-5-19-50(65)35-36-51-20-6-12-30-66(51)70)44-62(59)68(58-26-14-22-46-16-2-8-24-57(46)58)60-42-40-53(43-61(60)67)69-63-27-9-3-17-48(63)33-34-49-18-4-10-28-64(49)69/h1-32,37-44H,33-36H2
InChIKeyVAVYIALIEQDZGM-UHFFFAOYSA-N
MW893.15 g/mol
LogP18.44
Rot. Bonds5

About 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine

11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 59220622) has the molecular formula C68H48N2 and a molecular weight of 893.15 g/mol. Its IUPAC name is 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
PubChem CID59220622
Molecular FormulaC68H48N2
Molecular Weight893.15 g/mol
Exact Mass892.38
IUPAC Name11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESc1ccc2c(c1)CCc1ccccc1N2c1ccc2c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c2c1
InChIInChI=1S/C68H48N2/c1-7-23-55-45(15-1)21-13-25-56(55)47-31-37-52(38-32-47)67-59-41-39-54(70-65-29-11-5-19-50(65)35-36-51-20-6-12-30-66(51)70)44-62(59)68(58-26-14-22-46-16-2-8-24-57(46)58)60-42-40-53(43-61(60)67)69-63-27-9-3-17-48(63)33-34-49-18-4-10-28-64(49)69/h1-32,37-44H,33-36H2
InChIKeyVAVYIALIEQDZGM-UHFFFAOYSA-N
XLogP18.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.15
LogP ≤ 518.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine with MolForge

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Related Compounds

11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59220351
10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine
CID 59219788
11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59220889
11-[9-naphthalen-1-yl-10-phenyl-6-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)anthracen-2-yl]-5,6,7,8-tetrahydrobenzo[b][1]benzazepine
CID 89111273
10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
CID 59220211
10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
CID 59220855
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 59220521
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
11-[10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-6-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89110850
10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine
CID 59219996

Frequently Asked Questions

What is the IUPAC name of 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine (CID 59220622) is 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine is c1ccc2c(c1)CCc1ccccc1N2c1ccc2c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c2c1.
What is the InChIKey of 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The InChIKey is VAVYIALIEQDZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2/c1-7-23-55-45(15-1)21-13-25-56(55)47-31-37-52(38-32-47)67-59-41-39-54(70-65-29-11-5-19-50(65)35-36-51-20-6-12-30-66(51)70)44-62(59)68(58-26-14-22-46-16-2-8-24-57(46)58)60-42-40-53(43-61(60)67)69-63-27-9-3-17-48(63)33-34-49-18-4-10-28-64(49)69/h1-32,37-44H,33-36H2.
What are the key properties of 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine?
11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine has a molecular weight of 893.15 g/mol, XLogP of 18.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 59220622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).