5-[9,10-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine

C60H54N4 — CID 59219640

IUPAC5-[9,10-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine
SMILESCN1c2ccccc2N(c2ccc3c(-c4ccc(C(C)(C)C)cc4)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccc(C(C)(C)C)cc4)c3c2)c2ccccc21
InChIInChI=1S/C60H54N4/c1-59(2,3)41-29-25-39(26-30-41)57-45-35-33-44(64-55-23-15-11-19-51(55)62(8)52-20-12-16-24-56(52)64)38-48(45)58(40-27-31-42(32-28-40)60(4,5)6)46-36-34-43(37-47(46)57)63-53-21-13-9-17-49(53)61(7)50-18-10-14-22-54(50)63/h9-38H,1-8H3
InChIKeyHQIRNZSOCGZHGN-UHFFFAOYSA-N
MW831.12 g/mol
LogP17.02
Rot. Bonds4

About 5-[9,10-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine

5-[9,10-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine (PubChem CID 59219640) has the molecular formula C60H54N4 and a molecular weight of 831.12 g/mol. Its IUPAC name is 5-[9,10-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine.

Molecular Properties

Compound Name5-[9,10-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine
PubChem CID59219640
Molecular FormulaC60H54N4
Molecular Weight831.12 g/mol
Exact Mass830.43
IUPAC Name5-[9,10-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine
SMILESCN1c2ccccc2N(c2ccc3c(-c4ccc(C(C)(C)C)cc4)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccc(C(C)(C)C)cc4)c3c2)c2ccccc21
InChIInChI=1S/C60H54N4/c1-59(2,3)41-29-25-39(26-30-41)57-45-35-33-44(64-55-23-15-11-19-51(55)62(8)52-20-12-16-24-56(52)64)38-48(45)58(40-27-31-42(32-28-40)60(4,5)6)46-36-34-43(37-47(46)57)63-53-21-13-9-17-49(53)61(7)50-18-10-14-22-54(50)63/h9-38H,1-8H3
InChIKeyHQIRNZSOCGZHGN-UHFFFAOYSA-N
XLogP17.02
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.12
LogP ≤ 517.02
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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Launch Full Analysis

Related Compounds

5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine
CID 59220247
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine
CID 59220088
11-[4-[10-(4-benzo[b][1]benzazepin-11-ylphenyl)-2-tert-butylanthracen-9-yl]phenyl]benzo[b][1]benzazepine
CID 121444414
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
5-methyl-10-[6-(10-methylphenazin-5-yl)-9,10-dipyridin-2-ylanthracen-2-yl]phenazine
CID 59220299
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-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine
CID 59220288
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,10-diphenylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220362
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenazine
CID 59219916
10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
CID 59220139
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 58991757

Frequently Asked Questions

What is the IUPAC name of 5-[9,10-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine?
The IUPAC name of 5-[9,10-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine (CID 59219640) is 5-[9,10-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine.
What is the SMILES notation for 5-[9,10-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine?
The canonical SMILES for 5-[9,10-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine is CN1c2ccccc2N(c2ccc3c(-c4ccc(C(C)(C)C)cc4)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(-c4ccc(C(C)(C)C)cc4)c3c2)c2ccccc21.
What is the InChIKey of 5-[9,10-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine?
The InChIKey is HQIRNZSOCGZHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N4/c1-59(2,3)41-29-25-39(26-30-41)57-45-35-33-44(64-55-23-15-11-19-51(55)62(8)52-20-12-16-24-56(52)64)38-48(45)58(40-27-31-42(32-28-40)60(4,5)6)46-36-34-43(37-47(46)57)63-53-21-13-9-17-49(53)61(7)50-18-10-14-22-54(50)63/h9-38H,1-8H3.
What are the key properties of 5-[9,10-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine?
5-[9,10-bis(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine has a molecular weight of 831.12 g/mol, XLogP of 17.02, 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(4-tert-butylphenyl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine is sourced from PubChem (CID 59219640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).