5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine

C54H42N2 — CID 91279859

IUPAC5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine
SMILESCC1C=CC2=C(C1)C(C)(C)c1cc(C=Cc3ccc4c5ccc(N6c7ccccc7N(c7ccccc7)c7ccccc76)cc5c5ccccc5c4c3)ccc12
InChIInChI=1S/C54H42N2/c1-35-21-27-44-45-29-25-37(33-49(45)54(2,3)48(44)31-35)23-22-36-24-28-42-43-30-26-39(34-47(43)41-16-8-7-15-40(41)46(42)32-36)56-52-19-11-9-17-50(52)55(38-13-5-4-6-14-38)51-18-10-12-20-53(51)56/h4-30,32-35H,31H2,1-3H3
InChIKeyIHOBVERYDXGLKG-UHFFFAOYSA-N
MW718.94 g/mol
LogP15.21
Rot. Bonds4

About 5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine

5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine (PubChem CID 91279859) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is 5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine.

Molecular Properties

Compound Name5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine
PubChem CID91279859
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC Name5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine
SMILESCC1C=CC2=C(C1)C(C)(C)c1cc(C=Cc3ccc4c5ccc(N6c7ccccc7N(c7ccccc7)c7ccccc76)cc5c5ccccc5c4c3)ccc12
InChIInChI=1S/C54H42N2/c1-35-21-27-44-45-29-25-37(33-49(45)54(2,3)48(44)31-35)23-22-36-24-28-42-43-30-26-39(34-47(43)41-16-8-7-15-40(41)46(42)32-36)56-52-19-11-9-17-50(52)55(38-13-5-4-6-14-38)51-18-10-12-20-53(51)56/h4-30,32-35H,31H2,1-3H3
InChIKeyIHOBVERYDXGLKG-UHFFFAOYSA-N
XLogP15.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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
11-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]benzo[b][1]benzazepine
CID 90906407
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
10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine
CID 91237807
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
5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
CID 89071084
5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine
CID 90848407
10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887
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
7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole
CID 155005585
7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 146211458
2-methyl-9,9-diphenyl-7-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]-1,2-dihydrofluorene
CID 143444869

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine?
The IUPAC name of 5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine (CID 91279859) is 5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine.
What is the SMILES notation for 5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine?
The canonical SMILES for 5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine is CC1C=CC2=C(C1)C(C)(C)c1cc(C=Cc3ccc4c5ccc(N6c7ccccc7N(c7ccccc7)c7ccccc76)cc5c5ccccc5c4c3)ccc12.
What is the InChIKey of 5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine?
The InChIKey is IHOBVERYDXGLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2/c1-35-21-27-44-45-29-25-37(33-49(45)54(2,3)48(44)31-35)23-22-36-24-28-42-43-30-26-39(34-47(43)41-16-8-7-15-40(41)46(42)32-36)56-52-19-11-9-17-50(52)55(38-13-5-4-6-14-38)51-18-10-12-20-53(51)56/h4-30,32-35H,31H2,1-3H3.
What are the key properties of 5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine?
5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine has a molecular weight of 718.94 g/mol, XLogP of 15.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine is sourced from PubChem (CID 91279859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).