5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine

C70H56N4 — CID 89111108

IUPAC5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine
SMILESCN1C2=C(C=CCC2)N(c2ccc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c2)c2ccccc21
InChIInChI=1S/C70H56N4/c1-69(2)55-21-9-7-19-47(55)49-35-31-43(39-57(49)69)67-51-37-33-46(74-65-29-17-13-25-61(65)72(6)62-26-14-18-30-66(62)74)42-54(51)68(44-32-36-50-48-20-8-10-22-56(48)70(3,4)58(50)40-44)52-38-34-45(41-53(52)67)73-63-27-15-11-23-59(63)71(5)60-24-12-16-28-64(60)73/h7-13,15-25,27-42H,14,26H2,1-6H3
InChIKeyVHKJYCNPKQUWJM-UHFFFAOYSA-N
MW953.25 g/mol
LogP18.64
Rot. Bonds4

About 5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine

5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine (PubChem CID 89111108) has the molecular formula C70H56N4 and a molecular weight of 953.25 g/mol. Its IUPAC name is 5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine.

Molecular Properties

Compound Name5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine
PubChem CID89111108
Molecular FormulaC70H56N4
Molecular Weight953.25 g/mol
Exact Mass952.45
IUPAC Name5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine
SMILESCN1C2=C(C=CCC2)N(c2ccc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c2)c2ccccc21
InChIInChI=1S/C70H56N4/c1-69(2)55-21-9-7-19-47(55)49-35-31-43(39-57(49)69)67-51-37-33-46(74-65-29-17-13-25-61(65)72(6)62-26-14-18-30-66(62)74)42-54(51)68(44-32-36-50-48-20-8-10-22-56(48)70(3,4)58(50)40-44)52-38-34-45(41-53(52)67)73-63-27-15-11-23-59(63)71(5)60-24-12-16-28-64(60)73/h7-13,15-25,27-42H,14,26H2,1-6H3
InChIKeyVHKJYCNPKQUWJM-UHFFFAOYSA-N
XLogP18.64
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.25
LogP ≤ 518.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine
CID 59220288
5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine
CID 59220680
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
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine
CID 89111089
10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine
CID 89111126
5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine
CID 59195441
10-[9-(9,9-dimethylfluoren-2-yl)-6-phenothiazin-10-yl-10-pyridin-2-ylanthracen-2-yl]-3,4-dihydrophenoxazine
CID 89111120
10-[6-(1,2-dihydrophenothiazin-10-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenanthren-9-ylanthracen-2-yl]phenothiazine
CID 89111189
10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine
CID 59220894
5-[9,10-di(isoquinolin-1-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine
CID 89110896
5-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)-10-naphthalen-1-ylanthracen-2-yl]-10-methylphenazine
CID 163720224
10-[6-(1,2-dihydrophenothiazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-isoquinolin-1-ylanthracen-2-yl]-3,4-dihydrophenothiazine
CID 89111220

Frequently Asked Questions

What is the IUPAC name of 5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine?
The IUPAC name of 5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine (CID 89111108) is 5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine.
What is the SMILES notation for 5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine?
The canonical SMILES for 5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine is CN1C2=C(C=CCC2)N(c2ccc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c2)c2ccccc21.
What is the InChIKey of 5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine?
The InChIKey is VHKJYCNPKQUWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H56N4/c1-69(2)55-21-9-7-19-47(55)49-35-31-43(39-57(49)69)67-51-37-33-46(74-65-29-17-13-25-61(65)72(6)62-26-14-18-30-66(62)74)42-54(51)68(44-32-36-50-48-20-8-10-22-56(48)70(3,4)58(50)40-44)52-38-34-45(41-53(52)67)73-63-27-15-11-23-59(63)71(5)60-24-12-16-28-64(60)73/h7-13,15-25,27-42H,14,26H2,1-6H3.
What are the key properties of 5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine?
5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine has a molecular weight of 953.25 g/mol, XLogP of 18.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(10-methyl-1,2-dihydrophenazin-5-yl)anthracen-2-yl]-10-methylphenazine is sourced from PubChem (CID 89111108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).