11-phenyl-2-[5-(11-phenyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)benzo[g]quinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine

C53H39N3 — CID 59183272

IUPAC11-phenyl-2-[5-(11-phenyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)benzo[g]quinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESc1ccc(N2c3ccccc3CCc3ccc(-c4c5ccccc5c(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5CC6)c5ncccc45)cc32)cc1
InChIInChI=1S/C53H39N3/c1-3-16-42(17-4-1)55-47-23-11-7-14-36(47)25-27-38-29-31-40(34-49(38)55)51-44-20-9-10-21-45(44)52(53-46(51)22-13-33-54-53)41-32-30-39-28-26-37-15-8-12-24-48(37)56(50(39)35-41)43-18-5-2-6-19-43/h1-24,29-35H,25-28H2
InChIKeyUNOFWGQJZNXFDU-UHFFFAOYSA-N
MW717.92 g/mol
LogP13.86
Rot. Bonds4

About 11-phenyl-2-[5-(11-phenyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)benzo[g]quinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine

11-phenyl-2-[5-(11-phenyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)benzo[g]quinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 59183272) has the molecular formula C53H39N3 and a molecular weight of 717.92 g/mol. Its IUPAC name is 11-phenyl-2-[5-(11-phenyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)benzo[g]quinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-phenyl-2-[5-(11-phenyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)benzo[g]quinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine
PubChem CID59183272
Molecular FormulaC53H39N3
Molecular Weight717.92 g/mol
Exact Mass717.31
IUPAC Name11-phenyl-2-[5-(11-phenyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)benzo[g]quinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESc1ccc(N2c3ccccc3CCc3ccc(-c4c5ccccc5c(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5CC6)c5ncccc45)cc32)cc1
InChIInChI=1S/C53H39N3/c1-3-16-42(17-4-1)55-47-23-11-7-14-36(47)25-27-38-29-31-40(34-49(38)55)51-44-20-9-10-21-45(44)52(53-46(51)22-13-33-54-53)41-32-30-39-28-26-37-15-8-12-24-48(37)56(50(39)35-41)43-18-5-2-6-19-43/h1-24,29-35H,25-28H2
InChIKeyUNOFWGQJZNXFDU-UHFFFAOYSA-N
XLogP13.86
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.92
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 11-phenyl-2-[5-(11-phenyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)benzo[g]quinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine with MolForge

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Related Compounds

10-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]benzo[g]quinoline
CID 59184028
10-phenyl-5-[3-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline
CID 59183400
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
5-dibenzofuran-2-yl-10-phenylbenzo[g]quinoline
CID 59183832
10-phenyl-5-(3,4,5-trimethylphenyl)benzo[g]quinoline
CID 59183543
10-naphthalen-2-yl-5-(3-phenylphenyl)benzo[g]quinoline
CID 59183088
5,10-bis(4-fluorophenyl)benzo[g]quinoline
CID 59183532
11-pyridin-2-yl-5,6-dihydrobenzo[b][1]benzazepine
CID 132545002
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
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-[4-[5-(4-phenothiazin-10-ylphenyl)benzo[g]quinoxalin-10-yl]phenyl]phenothiazine
CID 138493324
5,10-di(spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl)benzo[g]quinoline
CID 59183853

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-2-[5-(11-phenyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)benzo[g]quinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 11-phenyl-2-[5-(11-phenyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)benzo[g]quinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine (CID 59183272) is 11-phenyl-2-[5-(11-phenyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)benzo[g]quinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 11-phenyl-2-[5-(11-phenyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)benzo[g]quinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 11-phenyl-2-[5-(11-phenyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)benzo[g]quinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine is c1ccc(N2c3ccccc3CCc3ccc(-c4c5ccccc5c(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5CC6)c5ncccc45)cc32)cc1.
What is the InChIKey of 11-phenyl-2-[5-(11-phenyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)benzo[g]quinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The InChIKey is UNOFWGQJZNXFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N3/c1-3-16-42(17-4-1)55-47-23-11-7-14-36(47)25-27-38-29-31-40(34-49(38)55)51-44-20-9-10-21-45(44)52(53-46(51)22-13-33-54-53)41-32-30-39-28-26-37-15-8-12-24-48(37)56(50(39)35-41)43-18-5-2-6-19-43/h1-24,29-35H,25-28H2.
What are the key properties of 11-phenyl-2-[5-(11-phenyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)benzo[g]quinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine?
11-phenyl-2-[5-(11-phenyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)benzo[g]quinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine has a molecular weight of 717.92 g/mol, XLogP of 13.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-2-[5-(11-phenyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)benzo[g]quinolin-10-yl]-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 59183272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).