11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine

C61H50N2 — CID 91448623

IUPAC11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESCC1(C)C2=C(C=CC(N3c4ccccc4CCc4ccccc43)C2)c2ccc(C=Cc3ccc(-c4ccc(N5c6ccccc6CCc6ccccc65)c5ccccc45)cc3)cc21
InChIInChI=1S/C61H50N2/c1-61(2)54-39-42(27-35-51(54)52-36-34-48(40-55(52)61)62-56-19-9-3-13-44(56)30-31-45-14-4-10-20-57(45)62)24-23-41-25-28-43(29-26-41)49-37-38-60(53-18-8-7-17-50(49)53)63-58-21-11-5-15-46(58)32-33-47-16-6-12-22-59(47)63/h3-29,34-39,48H,30-33,40H2,1-2H3
InChIKeyABZWVSCBGPPVQN-UHFFFAOYSA-N
MW811.09 g/mol
LogP15.56
Rot. Bonds5

About 11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine

11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 91448623) has the molecular formula C61H50N2 and a molecular weight of 811.09 g/mol. Its IUPAC name is 11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine
PubChem CID91448623
Molecular FormulaC61H50N2
Molecular Weight811.09 g/mol
Exact Mass810.40
IUPAC Name11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESCC1(C)C2=C(C=CC(N3c4ccccc4CCc4ccccc43)C2)c2ccc(C=Cc3ccc(-c4ccc(N5c6ccccc6CCc6ccccc65)c5ccccc45)cc3)cc21
InChIInChI=1S/C61H50N2/c1-61(2)54-39-42(27-35-51(54)52-36-34-48(40-55(52)61)62-56-19-9-3-13-44(56)30-31-45-14-4-10-20-57(45)62)24-23-41-25-28-43(29-26-41)49-37-38-60(53-18-8-7-17-50(49)53)63-58-21-11-5-15-46(58)32-33-47-16-6-12-22-59(47)63/h3-29,34-39,48H,30-33,40H2,1-2H3
InChIKeyABZWVSCBGPPVQN-UHFFFAOYSA-N
XLogP15.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.09
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine with MolForge

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Related Compounds

5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine
CID 91279859
10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine
CID 90764809
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-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 90788530
10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine
CID 89070905
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
11-[7-[(E)-2-[7-(10-cyclohexa-2,4-dien-1-ylphenazin-5-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89071630
10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887
1-[4-[7-[2-[7-(2,2-dimethyl-3,4-dihydroquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenyl]-2,2-dimethyl-3,4-dihydroquinoline
CID 91445519
10-[7-[(E)-2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenothiazine
CID 89071852
11-[4-[(E)-2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89070765
5-[4-[4-[2-[9,9-dimethyl-7-(1-methyl-10-phenyl-1,2-dihydrophenazin-5-yl)fluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
CID 90758390

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine (CID 91448623) is 11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine is CC1(C)C2=C(C=CC(N3c4ccccc4CCc4ccccc43)C2)c2ccc(C=Cc3ccc(-c4ccc(N5c6ccccc6CCc6ccccc65)c5ccccc45)cc3)cc21.
What is the InChIKey of 11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The InChIKey is ABZWVSCBGPPVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H50N2/c1-61(2)54-39-42(27-35-51(54)52-36-34-48(40-55(52)61)62-56-19-9-3-13-44(56)30-31-45-14-4-10-20-57(45)62)24-23-41-25-28-43(29-26-41)49-37-38-60(53-18-8-7-17-50(49)53)63-58-21-11-5-15-46(58)32-33-47-16-6-12-22-59(47)63/h3-29,34-39,48H,30-33,40H2,1-2H3.
What are the key properties of 11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine?
11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine has a molecular weight of 811.09 g/mol, XLogP of 15.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[4-[2-[7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,9-dimethyl-7,8-dihydrofluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 91448623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).